SCHEMBL56734

SCHEMBL56734

CC(C)([C]=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ESR1 P03372 2/20 0.39

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
SCHEMBL159573 0.86 KIF11 (0.46) MAPK1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL9316251 0.86 TSHR (0.35) KMT2AALDH1A1HDAC1ESR1ESR2
SCHEMBL2121344 0.79 MAPK1 (0.44) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL6225960 0.78 MAPK1 (0.48) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL6209830 0.75 KMT2A (0.50) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL10483069 0.75 KCNN4 (0.46) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL3847927 0.75 KIF11 (0.41) MAPTHDAC8
SCHEMBL18396557 0.75 RAB9A (0.41) MAPK1MAPTKMT2AALDH1A1HDAC3
SCHEMBL15259639 0.75 TSHR (0.46) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL11331205 0.75 MAPK1 (0.41) MAPK1MAPTKMT2ACYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-01-11 US claimed
WO-2022107049-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-05-27 WO claimed
EP-3714893-A1 CHEMICAL CROSSLINKERS Amicus Therapeutics, Inc. (US) 2020-09-30 EP claimed
EP-2976092-B1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS INC (US) 2020-04-22 EP claimed
US-20180185503-A1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS, INC. (US) 2018-07-05 US claimed
WO-2017013593-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2017-01-26 WO claimed
US-20160129126-A1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS, INC. (US) 2016-05-12 US claimed
EP-2976092-A2 CHEMICAL CROSSLINKERS Amicus Therapeutics, Inc. (US) 2016-01-27 EP claimed
WO-2014143734-A2 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS, INC. (US) 2014-09-18 WO claimed
WO-2014143701-A1 CHEMICAL CROSSLINKERS AMICUS THERAPEUTICS, INC. (US) 2014-09-18 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
EP-1362029-B1 HYDROXY-PEROXYESTER PREPARATION METHOD ARKEMA (FR) 2005-09-14 EP claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
US-20040176632-A1 Catalytic polymerization of vinyl chloride with bases with peroxy compounds ATOFINA (FR) 2004-09-09 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRD1 MAPK1 3216/4885MAPT 1174/4885KMT2A 2212/4885
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS MAPK1 636/4885MAPT 1891/4885KMT2A 3263/4885

“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.