SCHEMBL97600

SCHEMBL97600

[CH2]c1ccc2c(c1)OCCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL360107 0.91 LMNA (0.48) NPC1RAB9AMAPTLMNAHTT
SCHEMBL7732318 0.84 MAPT (0.59) L3MBTL1MAPTLMNAHTTBLM
SCHEMBL2413 0.81 CYP3A4 (0.54) NPC1RAB9AALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL27435892 0.79 CYP3A4 (0.52) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14696834 0.79 CYP3A4 (0.52) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL647651 0.77 KCNH2 (0.37)
SCHEMBL648109 0.77 DYRK1A (0.46)
SCHEMBL24196489 0.73 NPC1 (0.49) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL3334778 0.73 CYP3A4 (0.68) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL10187098 0.73 NPC1 (0.44) NPC1RAB9AL3MBTL1ALDH1A1MAPT

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US claimed
US-20040058888-A1 Methods for synthesis of alpha-d-gal (1~>3) gal-containing oligosaccharides ALCHEMIA PTY LTD. (AU) 2004-03-25 US claimed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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 (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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E NPC1 1880/4885RAB9A 2778/4885L3MBTL1 3221/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 NPC1 1029/4885RAB9A 2782/4885L3MBTL1 502/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 NPC1 3333/4885RAB9A 3051/4885L3MBTL1 2115/4885
US-20040058888-A1 Methods for synthesis of alpha-d-gal (1~>3) gal-containing oligosaccharides B4GALT1, B3GAT3, FUT5 NPC1 4549/4885RAB9A 3159/4885L3MBTL1 204/4885

“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.