SCHEMBL6288659

SCHEMBL6288659

C=CCOCC[O].O=[C-]O.[Na+]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.32
CA2 known ✓ P00918 1/20 0.32
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CA7 P43166 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL462118 0.86
SCHEMBL3265929 0.84 CA1 (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL483350 0.81 POLB (0.41) MEN1POLBKMT2ACA1CA2
Phosphoric Acid SCHEMBL900121 0.80 POLB (0.38) MEN1POLBKMT2ACA1CA2
Sulfuric Acid SCHEMBL1083058 0.80 POLB (0.38) MEN1POLBKMT2ACA1CA2
Acetic Acid SCHEMBL4415814 0.78 MEN1 (0.41) MEN1POLBKMT2ACA1CA2
Sulfuric Acid SCHEMBL3263770 0.78 MEN1 (0.36) MEN1POLBKMT2ACA1CA2
SCHEMBL7897965 0.77 CA1 (0.34) MEN1POLBKMT2ACA1CA2
SCHEMBL6897699 0.72
SCHEMBL11374431 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133745-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2022-05-05 US disclosed
US-10758549-B2 Compositions of obeticholic acid and methods of use INTERCEPT PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-10751349-B2 Compositions of obeticholic acid and methods of use INTERCEPT PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20200171053-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2020-06-04 US disclosed
US-10646499-B2 Compositions of obeticholic acid and methods of use INTERCEPT PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-20200054650-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2020-02-20 US disclosed
US-20200046736-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2020-02-13 US disclosed
US-20200046735-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2020-02-13 US disclosed
US-20190255071-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-20190076446-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2019-03-14 US disclosed
US-10052337-B2 Compositions of obeticholic acid and methods of use INTERCEPT PHARMACEUTICALS, INC. (US) 2018-08-21 US disclosed
US-20170035784-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE INTERCEPT PHARMACEUTICALS, INC. 2017-02-09 US disclosed
EP-1129686-B1 Cleansing agents SHISEIDO CO LTD (JP) 2005-07-06 EP disclosed
US-6548463-B2 Surfactants and polyoxyalkylene dicarboxylic acid esters; removes makeup with excellent lathering, and provides a refreshing after-shampoo feeling SHISEIDO COMPANY, LTD. (JP) 2003-04-15 US disclosed
US-20010021691-A1 Cleansing agents SHISEIDO COMPANY, LTD. 2001-09-13 US disclosed
EP-1129686-A1 Cleansing agents SHISEIDO COMPANY LIMITED (JP) 2001-09-05 EP disclosed
US-6194108-B1 FORMING AN IMAGE BY AN ELECTROCHEMICAL DEPOSITION OR BUILD-UP PHENOMENON, USING A DISPERSION IN WHICH COLORING MATERIAL FINE PARTICLES ARE DISPERSED IN AQUEOUS LIQUID FUJI XEROX CO., LTD. (JP) 2001-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10646499-B2 Compositions of obeticholic acid and methods of use OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-10751349-B2 Compositions of obeticholic acid and methods of use OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20190076446-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20170035784-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20220133745-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20190255071-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20200046736-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20200054650-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20200046735-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20200171053-A1 COMPOSITIONS OF OBETICHOLIC ACID AND METHODS OF USE OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-10758549-B2 Compositions of obeticholic acid and methods of use OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-10052337-B2 Compositions of obeticholic acid and methods of use OTC, ERGIC1, CEL CA1 915/4885CA2 1124/4885MEN1 1370/4885
US-20010021691-A1 Cleansing agents PYM1, SMURF1, SMURF2 CA1 3380/4885CA2 2576/4885MEN1 1677/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.