SCHEMBL3260971

SCHEMBL3260971

Cc1ccc2cc(C(=O)C(C)C)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.56
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
DBH P09172 1/20 0.53
RECQL P46063 1/20 0.53
CYP1A2 P05177 2/20 0.50
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM2B Q8NHM5 2/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10458008 0.94 CYP2A6 (0.65) CYP2A6KDM4EGAADBHRECQL
SCHEMBL12418686 0.90 KDM4E (0.63) CYP2A6KDM4EGAADBHRECQL
SCHEMBL8745697 0.85 KDM4E (0.53) CYP2A6KDM4EGAADBHRECQL
SCHEMBL19090508 0.82 KDM4E (0.55) CYP2A6KDM4EGAADBHRECQL
SCHEMBL759389 0.82 CES2 (0.61) KDM4EGAADBHRECQLTDP1
SCHEMBL5020197 0.81 KDM4E (0.69) CYP2A6KDM4EGAADBHRECQL
SCHEMBL12317627 0.81 KDM4E (0.58) KDM4EGAADBHRECQLCYP1A2
SCHEMBL16811768 0.81 ALDH1A1 (0.54) KDM4EGAADBHRECQLCYP1A2
SCHEMBL10458095 0.79 KDM4E (0.52) KDM4EGAADBHRECQLCYP1A2
SCHEMBL585256 0.79 ALDH1A1 (0.56) KDM4EGAADBHRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935537-A OXIDIZING ACYLALKYLNAPHTHALENE WITH PEROXIDE, OXIDIZING PRODUCT WITH OXYGEN USING CATALYST CONTAINING COBALT AND BROMINE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-06-19 US claimed
US-4801737-A Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-31 US claimed
EP-0170273-B1 PROCESS FOR PRODUCING ACYLOXYNAPHTHOIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-28 EP claimed
EP-0170273-A2 Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-02-05 EP claimed
US-8987315-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-20120309800-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-06 US disclosed
US-RE41136-E1 Process for preparing 2,6-dialkylnaphthalene KOBE STEEL, LTD (JP) 2010-02-16 US disclosed
US-RE39222-E1 Process for preparing 2,6-dialkylnaphthalene KOBE STEEL, LTD. (JP) 2006-08-01 US disclosed
EP-1023250-B1 PROCESS FOR PREPARING 2,6-DIALKYLNAPHTHALENE KOBE STEEL LTD (JP) 2004-12-15 EP disclosed
EP-1165473-B1 PROCESS FOR PREPARING 2,6-DIALKYLNAPHTALENE KOBE STEEL LTD (JP) 2004-06-23 EP disclosed
EP-0812813-B1 Process for preparing dialkylnaphthalenes KOBE STEEL LTD (JP) 2002-03-20 EP disclosed
EP-1023250-A4 PROCESS FOR PREPARING 2,6-DIALKYLNAPHTHALENE KOBE STEEL LTD (JP) 2001-03-21 EP disclosed
EP-0517979-A1 Process for producing aromatic acylation product MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-12-16 EP disclosed
US-4967011-A IN THE PRESENCE OF BENZENE, TOLUENE OR CHLOROBENZENE AND PENTANE, HEXANE OR CYCLOHEXANE MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1990-10-30 US disclosed
US-4935537-A OXIDIZING ACYLALKYLNAPHTHALENE WITH PEROXIDE, OXIDIZING PRODUCT WITH OXYGEN USING CATALYST CONTAINING COBALT AND BROMINE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-06-19 US disclosed
EP-0361479-A2 Process for decomposing aromatic acylated compound.HF-BF3 complex MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-04 EP disclosed
US-4801737-A Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-31 US disclosed
EP-0170273-B1 PROCESS FOR PRODUCING ACYLOXYNAPHTHOIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-28 EP disclosed
EP-0212480-A1 Process for the production of 6-acyl-2-alkyl-naphthalene RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed
EP-0170273-A2 Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-02-05 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 (1 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-20120309800-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP2A6 619/4885KDM4E 3322/4885GAA 6/4885

“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.