SCHEMBL8395371

SCHEMBL8395371

COC(=O)c1cc(C)cc(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
POLB P06746 3/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL855638 0.84 GAA (0.53) GAAPOLBCA12CA1CA2
SCHEMBL23796581 0.84 CYP3A4 (0.56) GAAPOLBCA12CA1CA2
SCHEMBL13779473 0.84 CA1 (0.50) GAAPOLBCA12CA1CA2
SCHEMBL399550 0.82 KDM4E (0.57) GAAPOLBCA12CA1CA2
SCHEMBL19100970 0.82 CA1 (0.54) GAAPOLBCA12CA1CA2
SCHEMBL11767369 0.82 ALDH1A1 (0.49) GAAPOLBCA12CA1CA2
SCHEMBL6739836 0.82 CYP46A1 (0.44) GAAPOLBCA12CA1CA2
SCHEMBL3308973 0.81 BCL2L1 (0.47) GAAPOLBCA12CA1CA2
SCHEMBL21817721 0.81 XDH (0.47) GAAPOLBCA12CA1CA2
SCHEMBL3310733 0.81 KDR (0.43) GAAPOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5000998-A None JP disclosed
US-20230158158-A1 PYRAZOLO QUINAZOLINE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-05-25 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-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
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-8003286-B2 Photoreceptor for electrophotography HODOGAYA CHEMICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-20090104552-A1 PHOTORECEPTOR FOR ELECTROPHOTOGRAPHY HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
US-5985913-A GENE EXPRESSION AND CELL GROWTH FACTORS FOR BIOSYNTHESIS OSI PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
JP-H05998-A PRODUCTION OF 3,5-DI(ALPHA-METHYLBENZYL) SALICYLIC ACID DERIVATIVE AND ITS USE AS COLOR-DEVELOPING AGENT OF MULTI-VALENT METAL COMPOUND MITSUI TOATSU CHEM INC 1993-01-08 JP 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-10407376-B2 Method to prepare phenolics from biomass FDPS, DNPH1, HPD GAA 311/4885POLB 1330/4885CA12 3905/4885
US-20170349529-A1 Method to Prepare Phenolics from Biomass FDPS, DNPH1, HPD GAA 311/4885POLB 1330/4885CA12 3905/4885
US-20230158158-A1 PYRAZOLO QUINAZOLINE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 PLK1, BUB1, BUB1B GAA 2885/4885POLB 650/4885CA12 4718/4885

“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.