SCHEMBL9327652

SCHEMBL9327652

O=C(O)Cc1ccc2c(c1)CCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.55
WNT3A P56704 7/20 0.55
FABP4 P15090 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
AKR1B1 P15121 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1403662 0.90 FABP4 (0.56) FABP4RAB9ANPC1POLBAKR1B1
SCHEMBL28840819 0.88 AKR1B1 (0.47) CTNNB1WNT3ARAB9APOLBAKR1B1
SCHEMBL5792636 0.86 CTNNB1 (0.50) CTNNB1WNT3ARAB9ANPC1POLB
Formic Acid SCHEMBL28322635 0.85 RAB9A (0.54) FABP4RAB9ANPC1POLBAKR1B1
SCHEMBL8938407 0.85 AKR1B1 (0.43) CTNNB1WNT3AFABP4RAB9ANPC1
SCHEMBL11243863 0.82 CTNNB1 (0.46) CTNNB1WNT3AFABP4RAB9ANPC1
SCHEMBL30730257 0.82 CTNNB1 (0.47) CTNNB1WNT3ARAB9ANPC1POLB
SCHEMBL31409465 0.82 ALDH1A1 (0.57) RAB9ANPC1AKR1B1ALDH1A1HPGD
SCHEMBL24826094 0.81 CTNNB1 (0.52) CTNNB1WNT3AFABP4RAB9ANPC1
SCHEMBL1344385 0.81 AKR1B1 (0.44) CTNNB1WNT3AFABP4RAB9AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116601150-A Fused bicyclic RAF inhibitors and methods of use thereof 爵士制药爱尔兰有限公司 2023-08-15 CN disclosed
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed
EP-2970285-B1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20190008866-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-01-10 US disclosed
EP-3089970-B1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
US-10085985-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-10-02 US disclosed
US-20160331749-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-11-17 US disclosed
EP-3089970-A1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-11-09 EP disclosed
US-9428514-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-08-30 US disclosed
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
WO-2015089075-A1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2015-06-18 WO disclosed
US-20150158873-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2015-06-11 US disclosed
US-20150150884-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2015-06-04 US disclosed
US-8980879-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-03-17 US disclosed
WO-2014165143-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
WO-2014164780-A1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
US-20140256710-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 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 (8 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-20150150884-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CTNNB1 3620/4885WNT3A 2613/4885FABP4 3150/4885
US-10085985-B2 Bromodomain inhibitors BRD4, BRD3, BRD1 CTNNB1 3801/4885WNT3A 2917/4885FABP4 3091/4885
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR CTNNB1 3473/4885WNT3A 4270/4885FABP4 4543/4885
US-20190008866-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CTNNB1 3801/4885WNT3A 2917/4885FABP4 3091/4885
US-20160331749-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CTNNB1 3801/4885WNT3A 2917/4885FABP4 3091/4885
US-20140256710-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CTNNB1 3620/4885WNT3A 2613/4885FABP4 3150/4885
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR CTNNB1 3473/4885WNT3A 4270/4885FABP4 4543/4885
US-20150158873-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CTNNB1 3801/4885WNT3A 2917/4885FABP4 3091/4885

“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.