SCHEMBL12221209

SCHEMBL12221209

CC(C)(C)c1cc2ccccc2c(-c2c(O)c(Cl)cc3ccccc23)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ TYR P14679 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2295837 0.90 CA2 (0.43) SMN1; SMN2MEN1KMT2AGAACA2
SCHEMBL9955133 0.85 ALOX5 (0.46) CYP2C9CYP2C19HIF1ASMN1; SMN2TP53
SCHEMBL31199146 0.85 ALOX5 (0.46) CYP2C9CYP2C19HIF1ASMN1; SMN2TP53
SCHEMBL12023147 0.84 MEN1 (0.33) CYP2C9CYP2C19HIF1AMEN1KMT2A
SCHEMBL10907551 0.83 ALOX5 (0.44) CYP2C9CYP2C19HIF1ASMN1; SMN2TP53
SCHEMBL19196664 0.78 CA2 (0.45) CYP2C9CYP2C19HIF1ASMN1; SMN2MEN1
SCHEMBL9618750 0.76 MAPT (0.55) CYP2C9CYP2C19HIF1AMEN1KMT2A
SCHEMBL31411208 0.76 CA2 (0.53) CYP2C9CYP2C19SMN1; SMN2CA2CA1
SCHEMBL8338477 0.75 CA2 (0.42) CYP2C9CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL28777818 0.73 POLB (0.44) CYP2C9CYP2C19SMN1; SMN2MEN1KMT2A

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 13 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-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-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

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

For each of this compound's patents that has machine-readable text (3 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 CYP2C9 1074/4885CYP2C19 1291/4885HIF1A 2878/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 CYP2C9 280/4885CYP2C19 283/4885HIF1A 2623/4885
US-20110082308-A1 ALUMINUM COMPLEX AND USE THEREOF C9, ALOX12, ALOX5 CYP2C9 1102/4885CYP2C19 1585/4885HIF1A 3698/4885

“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.

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