SCHEMBL10062369

SCHEMBL10062369

CCc1cc(O)c(O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
AKR1B1 P15121 1/20 0.55
TNKS2 Q9H2K2 2/20 0.53
TNKS O95271 1/20 0.53
TSHR P16473 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRB2 P07550 1/20 0.47
ALOX5 P09917 1/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
APEX1 P27695 1/20 0.46
CYP2C9 P11712 1/20 0.45
TRPA1 O75762 1/20 0.45
TUBB4A P04350 2/20 0.44

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
SCHEMBL901445 0.91 PTGS2 (0.64) PTGS2AKR1B1TNKS2ALOX5LMNA
Methane SCHEMBL29229953 0.89 PTGS2 (0.61) PTGS2AKR1B1TNKS2ALOX5LMNA
SCHEMBL16502336 0.86 PTGS2 (0.53) PTGS2AKR1B1TNKS2TNKSTSHR
SCHEMBL25383363 0.85 TNKS2 (0.65) PTGS2AKR1B1TNKS2TNKSALOX5
SCHEMBL8372028 0.83 PTGS2 (0.73) PTGS2CYP3A4TUBB4ATUBBTUBA3C
SCHEMBL3041350 0.83 AKR1B1 (0.61) AKR1B1TNKS2TNKSTSHRTAAR1
SCHEMBL12121960 0.83 PTGS2 (0.55) PTGS2AKR1B1TNKS2TNKSALOX5
SCHEMBL10285344 0.83 AKR1B1 (0.55) PTGS2AKR1B1TNKS2TNKSTSHR
SCHEMBL17263518 0.83 AKR1B1 (0.76) AKR1B1TNKS2TNKSTSHRTAAR1
SCHEMBL12766044 0.82 PTGS2 (0.60) PTGS2AKR1B1TNKS2MAPK1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571180-B1 PRODUCTION OF HIGHLY PURE META,META-COUPLED BIS(4-ALKYLPHENOL) DERIVATIVES AND USES THEREOF UNIV LEUVEN KATH (BE) 2024-12-18 EP disclosed
US-20210070684-A1 PRODUCTION OF HIGHLY PURE META,META-COUPLED BIS(4-ALKYLPHENOL) DERIVATIVES AND USES THEREOF KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-03-11 US disclosed
EP-3571180-A1 PRODUCTION OF HIGHLY PURE META,META-COUPLED BIS(4-ALKYLPHENOL) DERIVATIVES AND USES THEREOF Katholieke Universiteit Leuven (BE) 2019-11-27 EP disclosed
WO-2018134427-A1 PRODUCTION OF HIGHLY PURE META,META-COUPLED BIS(4-ALKYLPHENOL) DERIVATIVES AND USES THEREOF KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-07-26 WO disclosed
WO-2015133867-A1 OFFSET PRINTING COMPOSITION, PRINTING METHOD USING SAME, AND PATTERN COMPRISING OFFSET PRINTING COMPOSITION 주식회사 엘지화학 2015-09-11 WO disclosed
US-8476414-B2 Substrates and internal standards for mass spectrometry detection PERKINELMER HEALTH SCIENCES, INC. (US) 2013-07-02 US disclosed
US-20120077871-A1 9, 10-Alpha, Alpha-OH-Taxane Analogs and Methods for Production Thereof TAPESTRY PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 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 (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-20120077871-A1 9, 10-Alpha, Alpha-OH-Taxane Analogs and Methods for Production Thereof TECR, ADCY9, AKR1C3 PTGS2 2150/4885AKR1B1 39/4885TNKS2 2873/4885
US-20210070684-A1 PRODUCTION OF HIGHLY PURE META,META-COUPLED BIS(4-ALKYLPHENOL) DERIVATIVES AND USES THEREOF MMS19, PCBP1, PBRM1 PTGS2 2870/4885AKR1B1 658/4885TNKS2 2737/4885
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO PTGS2 141/4885AKR1B1 460/4885TNKS2 1445/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 PTGS2 946/4885AKR1B1 1900/4885TNKS2 1685/4885

“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.