SCHEMBL4623008

SCHEMBL4623008

S=C(Br)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CTSL P07711 1/20 0.46
ALOX12 P18054 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
TRPA1 O75762 1/20 0.43
MEN1 O00255 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 2/20 0.41

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
SCHEMBL17708570 0.78 CES1 (0.55) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL1096270 0.78 CES1 (0.55) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL3368202 0.76 CES1 (0.52) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL11552318 0.75 KEAP1 (0.54) ALDH1A1KMT2AGAASMN1; SMN2LMNA
SCHEMBL2186535 0.74 CES1 (0.64) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL35280 0.74 CES1 (0.50) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL2348652 0.74 CES1 (0.50) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL6187432 0.74 CES1 (0.50) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL2424223 0.74 CES1 (0.50) CES1CES2AKR1B1ALDH1A1KMT2A
SCHEMBL1397309 0.74 GAA (0.53) CES1CES2AKR1B1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439179-B1 NEW ORIPAVINE DERIVATIVES AND THEIR USES AS MEDICINES INST PHARM & TOXICOLOGY AMMS (CN) 2008-03-26 EP disclosed
US-7119100-B2 Oripavine derivatives and their uses as pharmaceuticals INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. CHINA (CN) 2006-10-10 US disclosed
US-20050070564-A1 Oripavine derivatives and their uses as medicines ZHEJIANG XIANJU PHARMACEUTICALS CO., LTD. (CN) 2005-03-31 US disclosed
EP-1439179-A1 NEW ORIPAVINE DERIVATIVES AND THEIR USES AS MEDICINES Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2004-07-21 EP disclosed
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 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-20050070564-A1 Oripavine derivatives and their uses as medicines OPRK1, OPRM1, OPRD1 CES1 216/4885CES2 85/4885AKR1B1 305/4885

“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.