SCHEMBL5916601

SCHEMBL5916601

C=C(C=Cc1ccccc1)C(=O)[O-].[Na+]

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
PLIN1 O60240 2/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 2/20 0.55
PLIN5 Q00G26 2/20 0.55
ABHD5 Q8WTS1 2/20 0.55
ALDH1A1 P00352 2/20 0.55
F3 P13726 2/20 0.55
TNKS O95271 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55

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
Potassium Ion SCHEMBL6578283 0.98 MAPT (0.57) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL15120 0.82 MAPT (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL376003 0.82 MAPT (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL5175448 0.80 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL3052516 0.80 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL16268784 0.80 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL3052514 0.80 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL28287153 0.80 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
Cinnamic Acid SCHEMBL361738 0.79 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2
Cinnamic Acid SCHEMBL123136 0.79 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084987-B2 Demulsifiers for separation of water from oil and preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-08-10 US disclosed
US-10655073-B2 2020-05-19 US disclosed
US-20170327753-A1 Demulsifiers for Separation of Water from Oil and Preparation Thereof OIL AND NATURAL GAS CORPORATION LTD. (IN) 2017-11-16 US disclosed
WO-2016084104-A1 DEMULSIFIERS FOR SEPARATION OF WATER FROM OIL AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-02 WO disclosed
US-20060140898-A1 Use of a combination of at least one associated polymer and at least one amphiphilic diblock copolymer for thickening cosmetic compositions L'OREAL S.A. (FR) 2006-06-29 US disclosed
US-6833129-B2 Oligoesters obtained by condensation of one or more dicarboxylic acids or esters and one or more polyhydric alcohols CLARIANT GMBH (DE) 2004-12-21 US disclosed
EP-0364027-A2 Bleaching and detergent composition UNILEVER N.V. (NL) 1990-04-18 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 (1 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-20060140898-A1 Use of a combination of at least one associated polymer and at least one amphiphilic diblock copolymer for thickening cosmetic compositions PCNA, FAM83B, BRCA1 MAPT 4355/4885HDAC3 4743/4885HDAC4 4636/4885

“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.