SCHEMBL9750843

SCHEMBL9750843

CCCCCOC(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 5/20 0.38
LPAR1 Q92633 2/20 0.38
THRB P10828 2/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 7/20 0.34
CA12 O43570 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
CES2 O00748 1/20 0.33
NAAA Q02083 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL20476803 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL29690440 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL29690454 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL2856530 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL9750935 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL29690099 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL8024586 0.97 LPAR3 (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL3290589 0.92 TSHR (0.41) TSHRALDH1A1TDP1LPAR3LPAR2
SCHEMBL30549094 0.84 ALDH1A1 (0.39) TSHRALDH1A1TDP1
SCHEMBL24400073 0.82 ALDH1A1 (0.38) TSHRALDH1A1TDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773266-B2 Polymer, molded body, foam, resin composition, and production method for polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-03 US disclosed
US-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
US-20180030175-A1 POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-01 US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
US-20090321090-A1 Fuel Cell System for Extinguishing Fires AIRBUS DEUTSCHLAND GMBH (DE) 2009-12-31 US disclosed
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed
EP-0054805-B1 PROCESS FOR PREPARING TERTIARY OLEFINES EC ERDÖLCHEMIE GMBH (DE) 1985-07-03 EP disclosed
EP-0054805-A1 Process for preparing tertiary olefines EC ERDÖLCHEMIE GMBH (DE) 1982-06-30 EP 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 (4 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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 TSHR 3734/4885ALDH1A1 3085/4885TDP1 3803/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 TSHR 4507/4885ALDH1A1 2214/4885TDP1 3619/4885
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 TSHR 4213/4885ALDH1A1 2009/4885TDP1 2600/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 TSHR 4507/4885ALDH1A1 2214/4885TDP1 3619/4885

“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.