SCHEMBL97117

SCHEMBL97117

Cc1cc(C)c(C=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 3/20 0.46
ERN1 O75460 3/20 0.44
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNJ1 P48048 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL2884919 0.94 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL18128766 0.91 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL3687015 0.88 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL446933 0.88 ALDH1A1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL30600409 0.88 ALDH1A1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL24383847 0.81 ALDH1A1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL28667904 0.81 ALDH1A1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5385995 0.79 PTPN1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL22675490 0.79 PTPN1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL3847770 0.79 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048095-B1 BIS(AMINO-METHYL)CYCLOHEXANE ISOMERIZATION METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2018-12-26 EP claimed
EP-2199290-B1 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & CO (US) 2018-06-06 EP claimed
CN-105555754-B The isomerization method of double (amino methyl) hexamethylenes 三菱瓦斯化学株式会社 2017-10-20 CN claimed
US-9604905-B2 Isomerization method for bis (aminomethyl) cyclohexane MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-03-28 US claimed
EP-3048095-A1 BIS(AMINO-METHYL)CYCLOHEXANE ISOMERIZATION METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2016-07-27 EP claimed
US-20160207877-A1 ISOMERIZATION METHOD FOR BIS (AMINOMETHYL) CYCLOHEXANE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-07-21 US claimed
EP-2663542-B1 PROCESS FOR THE PREPARATION OF ALDITOL ACETALS RELIANCE IND LTD (IN) 2016-07-06 EP claimed
CN-105555754-A Isomerization method for bis(amino-methyl)cyclohexane MITSUBISHI GAS CHEMICAL CO 2016-05-04 CN claimed
CN-103154726-B Overall oral malodor is controlled by the combination of antiseptic and deodorant THE PROCTER & GAMBLE CO. (US) 2015-12-09 CN claimed
US-20150232721-A1 MOISTURE-CURING HOT-MELT ADHESIVE COMPOUND CONTAINING POLYALDIMINE SIKA TECHNOLOGY AG (CH) 2015-08-20 US claimed
US-5387699-A Catalyzed oxidation of tri- or tetraalkylated benzaldehydes INDUSTRIE GMBH (DE) 1995-02-07 US claimed
EP-0612748-A1 Process for the preparation of pyromellitic dianhydride (PMDA) Consortium für elektrochemische Industrie GmbH (DE) 1994-08-31 EP claimed
US-5041633-A Process for the production of an aromatic polycarboxylic acid AMOCO CORPORATION (US) 1991-08-20 US claimed
EP-0375812-A1 Process for the production of an aromatic polycarboxylic acid AMOCO CORPORATION (US) 1990-07-04 EP claimed
US-4824992-A OXIDIZING TRIMETHYLBENZALDEHYDE, IONS OF BROMINE, MANGANESE AND IRON MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-04-25 US claimed
EP-0083224-B1 PROCESS FOR PRODUCING AROMATIC POLYCARBOXYLIC ACID WITH HIGH PURITY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1987-05-27 EP claimed
EP-0083224-A1 Process for producing aromatic polycarboxylic acid with high purity MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-07-06 EP claimed
US-4346232-A CATALYTIC OXIDATION OF POLYALKYL-SUBSTITUTED AROMATIC ALDEHYDE OR ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-08-24 US claimed
EP-0046397-A1 Process for producing trimellitic acid or pyromellitic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-02-24 EP claimed
US-3976702-A OXIDATION OF ALKYL-AROMATIC ALDEHYDES WITH HYDROGEN PEROXIDE IN HYDROGEN FLUORIDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1976-08-24 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 (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-20160207877-A1 ISOMERIZATION METHOD FOR BIS (AMINOMETHYL) CYCLOHEXANE INF2, B2M, FHIT GRIA1 233/4885GRIA2 308/4885GRIA3 310/4885

“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.