SCHEMBL12023085

SCHEMBL12023085

C=Cc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.46
ALOX5 P09917 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ERN1 O75460 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
HSD17B1 P14061 2/20 0.41
CYP2B6 P20813 2/20 0.41
HSD17B2 P37059 2/20 0.41
POLB P06746 1/20 0.41
TRPA1 O75762 1/20 0.40
USP2 O75604 1/20 0.40
PAK1 Q13153 1/20 0.40

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
SCHEMBL994000 0.92 TRPA1 (0.46) MEN1KMT2AMAPTALOX5ESR1
SCHEMBL4040346 0.90 MEN1 (0.45) MEN1KMT2AMAPTALOX5PTPN22
SCHEMBL7115270 0.86 KMT2A (0.40) MEN1KMT2AMAPTALOX5PTPN22
SCHEMBL449311 0.84 ALDH1A1 (0.54) MEN1KMT2AMAPTCYP1A2HSD17B10
SCHEMBL27686717 0.83 HPRT1 (0.56) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL12023092 0.83 PLAU (0.45) MEN1KMT2AESR1ESR2CYP1A2
SCHEMBL8381351 0.78 PTPN22 (0.60) MEN1KMT2AMAPTALOX5PTPN22
SCHEMBL29362162 0.78 PTPN22 (0.65) MEN1KMT2AMAPTALOX5PTPN22
SCHEMBL15400598 0.78 PTPN22 (0.65) MEN1KMT2AMAPTALOX5PTPN22
SCHEMBL29027 0.78 PTPN22 (0.65) MEN1KMT2AMAPTALOX5PTPN22

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
EP-2376411-B1 ALUMINIUM COMPLEXES AND USE THEREOF AS A CATALYST IN INTRAMOLECULAR RING CLOSURE REACTIONS TAKASAGO PERFUMERY CO LTD (JP) 2014-11-12 EP disclosed
US-8580991-B2 Aluminium complexes and use thereof as a catalyst in intramolecular ring closure reactions TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-12 US disclosed
US-8580991-B2 Aluminium complexes and use thereof as a catalyst in intramolecular ring closure reactions TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-12 US disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-8329931-B2 Organoaluminum compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-11 US disclosed
US-8329931-B2 Organoaluminum compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-11 US disclosed
US-8329930-B2 Aluminum complex and use thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-11 US disclosed
US-8329930-B2 Aluminum complex and use thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-11 US disclosed
US-20110295031-A1 ORGANOALUMINUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-12-01 US disclosed
US-20110295031-A1 ORGANOALUMINUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-12-01 US disclosed
US-20110257412-A1 ALUMINIUM COMPLEXES AND USE THEREOF AS A CATALYST IN INTRAMOLECULAR RING CLOSURE REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
US-20110257412-A1 ALUMINIUM COMPLEXES AND USE THEREOF AS A CATALYST IN INTRAMOLECULAR RING CLOSURE REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-04-07 US disclosed
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-04-07 US disclosed
EP-2277623-A2 Polymeric phosphorus-containing compositions and their use in hydrocyanation, unsaturated nitrile isomerization and hydroformylation reactions INVISTA Technologies S.à.r.l. (CH) 2011-01-26 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-20110257412-A1 ALUMINIUM COMPLEXES AND USE THEREOF AS A CATALYST IN INTRAMOLECULAR RING CLOSURE REACTIONS C9, NFE2L2, ALOX12 MEN1 378/4885KMT2A 1433/4885MAPT 2933/4885
US-20110295031-A1 ORGANOALUMINUM COMPOUND CDC5L, ACSL3, MSMO1 MEN1 827/4885KMT2A 2669/4885MAPT 3870/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 MEN1 383/4885KMT2A 4400/4885MAPT 2206/4885
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF C9, ALOX12, ALOX5 MEN1 253/4885KMT2A 1429/4885MAPT 2279/4885

“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.