SCHEMBL4152694

SCHEMBL4152694

CCC(C(=O)O)c1coc2c(OC)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
HTR1A P08908 1/20 0.37
TBXA2R P21731 2/20 0.37
PTGIR P43119 2/20 0.37

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
SCHEMBL4138727 0.82 PSMB8 (0.43) PSMB8PSMB5ALDH1A1LMNAKMT2A
SCHEMBL10456371 0.79 L3MBTL1 (0.43) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL12260587 0.77 ALDH1A1 (0.49) PSMB8PSMB5ALDH1A1LMNAKMT2A
SCHEMBL4138723 0.77 PSMB5 (0.55) PSMB8PSMB5ALDH1A1LMNAKMT2A
SCHEMBL1999919 0.77 POLB (0.53) ALDH1A1LMNAKMT2AMEN1AKR1C3
SCHEMBL29889833 0.77 POLB (0.53) ALDH1A1LMNAKMT2AMEN1AKR1C3
SCHEMBL4139411 0.76 MAOB (0.45) PSMB8PSMB5KMT2AKDM4E
SCHEMBL4138671 0.75 HTR1A (0.46) PSMB8PSMB5ALDH1A1LMNAKMT2A
SCHEMBL31688909 0.75 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1AKR1C3
SCHEMBL10487741 0.74 ALDH1A1 (0.42) PSMB8PSMB5ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 WO 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A PSMB8 3334/4885PSMB5 3507/4885ALDH1A1 955/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C PSMB8 2786/4885PSMB5 666/4885ALDH1A1 828/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C PSMB8 2786/4885PSMB5 666/4885ALDH1A1 828/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 PSMB8 3028/4885PSMB5 3259/4885ALDH1A1 909/4885

“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.