SCHEMBL9216747

SCHEMBL9216747

CC(=O)c1cc(O)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
S1PR4 O95977 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 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
SCHEMBL29400547 0.84 CA12 (0.64) ALDH1A1CYP3A4HPGDMAPK1CA12
SCHEMBL108053 0.84 CA12 (0.64) ALDH1A1CYP3A4HPGDMAPK1CA12
SCHEMBL96129 0.82 HSD17B1 (0.56) HSD17B1ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL30344092 0.82 CA12 (0.61) ALDH1A1HPGDCA12CA1CA2
SCHEMBL1334366 0.82 CA12 (0.61) ALDH1A1HPGDCA12CA1CA2
SCHEMBL29384682 0.82 HSD17B1 (0.56) HSD17B1ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL11599737 0.82 CA12 (0.61) ALDH1A1CYP3A4HPGDMAPK1CA12
SCHEMBL16232860 0.82 KDM4E (0.46) ALDH1A1CYP3A4HPGDMAPK1CA12
SCHEMBL16520525 0.81 ALDH1A1 (0.55) HSD17B1ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL4950195 0.80 TDP1 (0.47) ALDH1A1HPGDMAPK1CA12CA1

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-10407376-B2 Method to prepare phenolics from biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-09-10 US disclosed
US-10407376-B2 Method to prepare phenolics from biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-09-10 US disclosed
US-20170349529-A1 Method to Prepare Phenolics from Biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-12-07 US disclosed
US-20170349529-A1 Method to Prepare Phenolics from Biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-12-07 US disclosed
US-20170349529-A1 Method to Prepare Phenolics from Biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-12-07 US disclosed
EP-3245186-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2017-11-22 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
WO-2016114668-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2016-07-21 WO disclosed
WO-2016114668-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2016-07-21 WO disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 WO disclosed
WO-1995001157-A1 USE OF HYDROXYPHENYL OXIMES AS CHELATING PHOTOPROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 HSD17B1 207/4885ALDH1A1 887/4885CYP3A4 712/4885
US-10407376-B2 Method to prepare phenolics from biomass FDPS, DNPH1, HPD HSD17B1 336/4885ALDH1A1 1935/4885CYP3A4 83/4885
US-20170349529-A1 Method to Prepare Phenolics from Biomass FDPS, DNPH1, HPD HSD17B1 336/4885ALDH1A1 1935/4885CYP3A4 83/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 HSD17B1 207/4885ALDH1A1 887/4885CYP3A4 712/4885

“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.