SCHEMBL142819

SCHEMBL142819

O=C(O)C(=CC=C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CES1 P23141 3/20 0.44
CES2 O00748 2/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
AKR1C1 Q04828 1/20 0.42
AKT1 P31749 1/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL88322 0.83 ALDH1A1 (0.46) ALDH1A1CES1CES2TSHRDAO
SCHEMBL13515676 0.79 MEN1 (0.57) ALDH1A1TSHRTDP1MAPK1CYP2C19
SCHEMBL10397769 0.78 AKR1C3 (0.50) ALDH1A1CES1CES2TSHRDAO
SCHEMBL10397770 0.78 AKR1C3 (0.50) ALDH1A1CES1CES2TSHRDAO
SCHEMBL1576590 0.78 TSHR (0.48) CES1CES2TSHRCYP3A4MAPT
Bicarbonate SCHEMBL9520975 0.76 MTNR1A (0.47) ALDH1A1CES1CES2TSHRDAO
SCHEMBL14156332 0.74 MEN1 (0.60) ALDH1A1TSHRTDP1MAPK1CYP2C19
SCHEMBL12320346 0.74 TDP1 (0.42) ALDH1A1CES1TSHRDAONAPRT
SCHEMBL8920452 0.74 TSHR (0.48) ALDH1A1CES1CES2TSHRCA2
SCHEMBL2807530 0.74 KMT2A (0.44) ALDH1A1TDP1CYP3A4MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683351-B1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2019-10-16 EP disclosed
EP-2266531-B1 Cosmetic composition comprising a superabsorbent polymer and an organic UV filter L'ORÉAL (FR) 2017-06-14 EP disclosed
EP-2342078-B1 NANOSCALE IR ABSORBER IN MULTILAYER MOLDED BODIES BASF SE (DE) 2016-06-15 EP disclosed
EP-2538914-B1 COSMETIC COMPOSITION COMPRISING A SUPERABSORBENT POLYMER AND AT LEAST A GEMINI SURFACTANT ORÉAL L (FR) 2016-06-15 EP disclosed
US-20150224046-A1 COMPOSITION CONTAINING A SUPERABSORBENT POLYMER AND AN ORGANIC UV SCREENING AGENT L'OREAL (FR) 2015-08-13 US disclosed
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
EP-2482793-B1 USE OF PIPERIDINE ESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS COMPRISING IT ORÉAL L (FR) 2015-04-22 EP disclosed
US-8747804-B2 Modified zinc oxide particles BASF SE (DE) 2014-06-10 US disclosed
US-8716311-B2 Use of piperidine ester derivative as solvent in cosmetic compositions; cosmetic compositions comprising it L'OREAL (FR) 2014-05-06 US disclosed
US-20140056832-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME L'OREAL (FR) 2014-02-27 US disclosed
EP-1727834-A1 AQUEOUS POLYMER DISPERSION CONTAINING EFFECT MATERIALS METHOD FOR PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-12-06 EP disclosed
WO-2006094526-A1 AQUEOUS POLYMER DISPERSIONS COMPRISING EFFECT SUBSTANCES, PROCESSES FOR PREPARING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2006-09-14 WO disclosed
US-20060058430-A1 Use of polymer powder containing uv absorber for the stabilisation of polymers against the effects of uv radiation BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 US disclosed
WO-2005087816-A1 AQUEOUS POLYMER DISPERSION CONTAINING EFFECT MATERIALS METHOD FOR PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO disclosed
US-20050129636-A1 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof L'OREAL (FR) 2005-06-16 US disclosed
EP-1191041-B1 Aqueous polymer dispersions containing colorants BASF AG (DE) 2004-12-15 EP disclosed
US-6541032-B1 Containing polymers in the form of an aqueous polymer dispersion or a polymer powder obtainable therefrom BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-20020131941-A1 Colorant-containing aqueous polymer dispersion BASF AKTIENGESELLSCHAFT (DE) 2002-09-19 US disclosed
EP-1191041-A2 Aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAFT (DE) 2002-03-27 EP disclosed
EP-1092416-A2 Use of free-flowing polymers PF incorporating dyes as colouring components in cosmetics BASF AKTIENGESELLSCHAFT (DE) 2001-04-18 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 (3 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-20050129636-A1 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof XPA, ERCC4, DCLRE1A ALDH1A1 250/4885CES1 2040/4885CES2 1520/4885
US-20140056832-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, MAT2A, SCD ALDH1A1 380/4885CES1 265/4885CES2 742/4885
US-20150224046-A1 COMPOSITION CONTAINING A SUPERABSORBENT POLYMER AND AN ORGANIC UV SCREENING AGENT KRT18, FABP2, FABP4 ALDH1A1 699/4885CES1 998/4885CES2 1099/4885

“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.