SCHEMBL3487513

SCHEMBL3487513

O=C1CCCCC1C(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
CA1 P00915 5/20 0.59
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MCL1 Q07820 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL7053572 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL14292320 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL4754008 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL7055028 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL4754009 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL11790195 0.98 MAPT (0.60) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL14292324 0.95 MAPT (0.68) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL28789732 0.95 MAPT (0.68) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL11475684 0.84 CA1 (0.64) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL3487030 0.83 MAPT (0.51) MAPTCA1KDM4EHPGDSMN1; SMN2

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
CN-110627647-A High diastereoselectivity 2- (hydroxy (phenyl) methyl) cyclohexanone derivative and preparation method thereof 广东工业大学 2019-12-31 CN claimed
CN-110627647-A High diastereoselectivity 2- (hydroxy (phenyl) methyl) cyclohexanone derivative and preparation method thereof 广东工业大学 2019-12-31 CN disclosed
CN-110627647-A High diastereoselectivity 2- (hydroxy (phenyl) methyl) cyclohexanone derivative and preparation method thereof 广东工业大学 2019-12-31 CN disclosed
CN-110627647-A High diastereoselectivity 2- (hydroxy (phenyl) methyl) cyclohexanone derivative and preparation method thereof 广东工业大学 2019-12-31 CN disclosed
WO-2015000543-A1 RARE EARTH METAL-BIS(PERFLUOROALKYL)PHOSPHINATES AS LEWIS ACID CATALYSTS MERCK PATENT GMBH (DE) 2015-01-08 WO disclosed
US-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 US disclosed
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE The State of Oregon acting by and through the State Board of Higher Education on behalf of Orego 2010-07-22 US disclosed
WO-2009039181-A2 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) 2009-03-26 WO disclosed
WO-2008022961-A1 N-HETEROCYCLES SUPPORTED ON POLYMERS THROUGH TRIAZOLE OR TETRAZOLE LINKERS FOR ORGANOCATALYTIC APPLICATIONS INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2008-02-28 WO disclosed
EP-1892042-A1 Proline derivatives supported on polymers through triazole or tetrazole linkers for organocatalytic applications Institut Catala D'Investigacio Quimica (ES) 2008-02-27 EP disclosed
EP-0811629-B1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL IND LTD (JP) 2003-05-02 EP disclosed
US-5880301-A CATALYSTS FOR PREPARATION OF OPTICALLY ACTIVE BETA-HYDROXYKETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 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-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE ALDH7A1, SULT1A1, SULT2A1 MAPT 3451/4885CA1 1253/4885KDM4E 3481/4885

“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.