SCHEMBL4138721

SCHEMBL4138721

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
TBXA2R P21731 3/20 0.41
PTGIR P43119 3/20 0.41
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL4146582 0.75 MAOB (0.43) KMT2APSMB8PSMB5CA2KDM4E
SCHEMBL7948373 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL7948483 0.71 PSMB8 (0.56) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL806348 0.71 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL21836382 0.71 PSMB5 (0.50) MEN1KMT2AALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL10671160 0.70 PSMB8 (0.55) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL6837905 0.70 MAOB (0.53) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4152694 0.70 PSMB8 (0.44) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL21807588 0.70 PSMB5 (0.47) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL11485184 0.69 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNAHPGD

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 MEN1 4223/4885KMT2A 2371/4885ALDH1A1 955/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C MEN1 3795/4885KMT2A 1907/4885ALDH1A1 828/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MEN1 3795/4885KMT2A 1907/4885ALDH1A1 828/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 MEN1 4143/4885KMT2A 2441/4885ALDH1A1 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.