SCHEMBL8980228

SCHEMBL8980228

CC(C)(C)C(=O)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CAMK2A Q9UQM7 1/20 0.56
ESR1 P03372 6/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.48
ESRRG P62508 2/20 0.46
ESRRB O95718 1/20 0.46
CTBP2 P56545 1/20 0.46
ESR2 Q92731 5/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
KDM4E B2RXH2 1/20 0.41
F13A1 P00488 1/20 0.41
ELANE P08246 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
SCHEMBL18751674 0.91 CES1 (0.46) CA2CAMK2AMAPK1LMNAKDM4E
SCHEMBL9791592 0.85 CA2 (0.54) CA2CAMK2AESR1FNTAFNTB
SCHEMBL16722805 0.84 ELANE (0.52) CA2CAMK2AESR1ESR2LMNA
SCHEMBL18116111 0.83 CA2 (0.56) CA2CAMK2ABLMLMNAKDM4E
SCHEMBL11389533 0.83 HPGD (0.55) CTBP2NPC1RAB9ALMNA
SCHEMBL16706518 0.82 CA2 (0.50) CA2CAMK2AESR1FNTAFNTB
SCHEMBL14254882 0.81 KDM4E (0.54) MAPK1CTBP2RAB9ALMNAKDM4E
SCHEMBL21087159 0.81 LOXL2 (0.46) CA2KDM4E
SCHEMBL18116103 0.81 EPHX2 (0.44) CA2BLMESRRGLMNA
SCHEMBL8235929 0.81 KMT2A (0.46) NPC1RAB9ALMNAKDM4E

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
US-9908866-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2018-03-06 US disclosed
US-20170283395-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-10-05 US disclosed
US-9670180-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-06-06 US disclosed
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-02-26 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-5558978-A Photoresist compositions containing copolymers having acid-labile groups and recurring units derived from either N-(hydroxymethyl)maleimide or N-(acetoxymethyl)maleimide or both OCG MICROELECTRONIC MATERIALS, INC. (US) 1996-09-24 US disclosed
EP-0659781-A2 Copolymers of maleimide, for photoresists OCG Microelectronic Materials Inc. (US) 1995-06-28 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 (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-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB CA2 1547/4885CAMK2A 3063/4885ESR1 2915/4885
US-20150057277-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS PDXK, DCK, CHEK1 CA2 740/4885CAMK2A 577/4885ESR1 2806/4885
US-20170283395-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS PDXK, DCK, CHEK1 CA2 740/4885CAMK2A 577/4885ESR1 2806/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CA2 2549/4885CAMK2A 4708/4885ESR1 737/4885

“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.