SCHEMBL671816

SCHEMBL671816

CCCCCCCCCCCCOCCCCCCCCCCCC.O=C([O-])CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.39
THRB known ✓ P10828 1/20 0.39
CA1 known ✓ P00915 1/20 0.37
RECQL P46063 2/20 0.44
CES2 O00748 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.44
BLM P54132 1/20 0.44
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G2C Q5R387 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL28690847 0.88 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL28709042 0.88 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL671818 0.88 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL28690849 0.88 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL31402373 0.88 RECQL (0.40) RECQLCES2GLAHPGDTSHR
SCHEMBL8000985 0.87 RECQL (0.39) RECQLCES2GLAHPGDTSHR
SCHEMBL2726851 0.87 MEN1 (0.41) RECQLCES2GLAHPGDTSHR
SCHEMBL674038 0.86 NAAA (0.41) RECQLCES2GLAHPGDTSHR
Disodium Laureth Sulfosucccinate SCHEMBL27916855 0.86 NAAA (0.41) RECQLCES2GLAHPGDTSHR
Cetyl Alcohol SCHEMBL17986422 0.85 CA2 (0.41) TSHRCA2MEN1KMT2ACA1

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 649 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024781-A Nanocellulose composite conductive lubricating hydrogel and preparation method thereof 季华实验室 2023-11-10 CN claimed
US-20230329232-A1 Low Viscosity Agricultural Adjuvant for Spraying Syrups and Method of Production Forquimica Agrociencia Ltda (BR) 2023-10-19 US claimed
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 EP claimed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN claimed
US-11382844-B2 Shampoo composition and method of use CONOPCO, INC. (US) 2022-07-12 US claimed
US-11376209-B2 Antidandruff composition and method of use CONOPCO, INC. (US) 2022-07-05 US claimed
US-11260008-B2 Hair treatment composition CONOPCO, INC. (US) 2022-03-01 US claimed
US-20210196614-A1 ANTIDANDRUFF COMPOSITION AND METHOD OF USE CONOPCO, INC., D/B/A UNILEVER 2021-07-01 US claimed
US-20200281824-A1 SHAMPOO COMPOSITION AND METHOD OF USE CONOPCO, INC., D/B/A UNILEVER 2020-09-10 US claimed
EP-3703646-A1 ANTIDANDRUFF COMPOSITION AND METHOD OF USE Unilever PLC (GB) 2020-09-09 EP claimed
CN-111295177-A Shampoo compositions and methods of use 荷兰联合利华有限公司 2020-06-16 CN claimed
US-20180147127-A1 COSMETIC COMPOSITION OXITENO S.A. INDÚSTRIA E COMÉRCIO (BR) 2018-05-31 US claimed
EP-2504386-B1 SURFACTANT-POLYMER BLENDS LUBRIZOL ADVANCED MAT INC (US) 2017-03-22 EP claimed
US-20120213725-A1 Surfactant-Polymer Blends LUBRIZOL ADVANCED MATERIALS, INC. (US) 2012-08-23 US claimed
US-20090197784-A1 Shampoo Compositions Containing a Combination of Cationic Polymers CONOPCO, INC. D/B/A UNILEVER 2009-08-06 US claimed
EP-1957036-A1 SHAMPOO COMPOSITIONS CONTAINING A COMBINATION OF CATIONIC POLYMERS UNILEVER PLC (GB) 2008-08-20 EP claimed
WO-2007147745-A1 HAND-WASHING PROCESS OF LAUNDRY CIBA HOLDING INC. (CH) 2007-12-27 WO claimed
WO-2007065537-A1 SHAMPOO COMPOSITIONS CONTAINING A COMBINATION OF CATIONIC POLYMERS UNILEVER PLC (GB) 2007-06-14 WO claimed
EP-0271186-B1 HYDROXYINDOLES AND THEIR USE IN DYEING REPLIGEN CORPORATION (US) 1992-12-30 EP claimed
EP-0271186-A1 Hydroxyindoles and their use in dyeing REPLIGEN CORPORATION (US) 1988-06-15 EP claimed

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

For each of this compound's patents that has machine-readable text (6 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-20120213725-A1 Surfactant-Polymer Blends SPTAN1, PHOSPHO1, SPTBN1 CA2 1868/4885THRB 4332/4885CA1 2254/4885
US-20090197784-A1 Shampoo Compositions Containing a Combination of Cationic Polymers PLOD3, ALG1, PSAP CA2 4110/4885THRB 4713/4885CA1 4254/4885
US-11376209-B2 Antidandruff composition and method of use ACR, SMURF1, POLR1C CA2 4073/4885THRB 3585/4885CA1 3298/4885
US-20210196614-A1 ANTIDANDRUFF COMPOSITION AND METHOD OF USE ACR, SMURF1, POLR1C CA2 4073/4885THRB 3585/4885CA1 3298/4885
US-11382844-B2 Shampoo composition and method of use CUTA, PCNA, ACR CA2 3556/4885THRB 3281/4885CA1 3893/4885
US-20200281824-A1 SHAMPOO COMPOSITION AND METHOD OF USE CUTA, PCNA, ACR CA2 3556/4885THRB 3281/4885CA1 3893/4885

“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.