SCHEMBL1027693

SCHEMBL1027693

O=C(Cl)c1ccc(OC2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.64
FURIN P09958 1/20 0.51
EPHX2 P34913 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.47
SENP8 Q96LD8 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
CASP3 P42574 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.44
TSHR P16473 1/20 0.44
MAP4K4 O95819 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL11758749 0.98 PARP10 (0.62) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL4285489 0.92 PARP10 (0.58) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL197827 0.84 PARP10 (0.50) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL11576648 0.83 PARP10 (0.66) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL1028676 0.83 EPHX2 (0.68) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL3671492 0.83 DGAT1 (0.49) PARP10EPHX2ALDH1A1LMNASENP8
SCHEMBL27867041 0.82 PARP10 (0.60) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL10188577 0.82 PARP10 (0.47) PARP10EPHX2ALDH1A1LMNANPC1
SCHEMBL14505028 0.81 PARP10 (0.64) PARP10FURINEPHX2ALDH1A1LMNA
SCHEMBL1817555 0.81 EPHX2 (0.70) PARP10EPHX2ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036952-A Bis-aryl compounds for use as medicaments BIOLIPOX AB 2011-04-27 CN disclosed
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed
EP-1087946-B1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2007-01-10 EP disclosed
CN-1168720-C Aryl alkanoylpyridazines Ĭ��ר���ɷ����޹�˾ 2004-09-29 CN disclosed
US-6417188-B1 ENZYME INHIBITORS OF PHOSPHODIESTERASE MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-09 US disclosed
CN-1305465-A Aryl alkanoylpyridazines MERCK PATENT GMBH (DE) 2001-07-25 CN disclosed
EP-1087946-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-04-04 EP disclosed
WO-1999065880-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 1999-12-23 WO disclosed
US-5908859-A ESPECIALLY HYPERCHOLESTEROLEMIA ELI LILLY AND COMPANY (US) 1999-06-01 US disclosed
EP-0897918-A1 Benzothiophene derivatives and their use as pharmaceutically active agents ELI LILLY AND COMPANY (US) 1999-02-24 EP disclosed
WO-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed
US-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 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 (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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R PARP10 2553/4885FURIN 1666/4885EPHX2 1028/4885

“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.