SCHEMBL1326477

SCHEMBL1326477

CCCCC1(C=O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH7 P40394 2/20 0.31
EPHX1 P07099 1/20 0.30
ADH4 P08319 1/20 0.30

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
SCHEMBL31076221 0.95 TSHR (0.35) TSHRADH1BADH1CADH1AADH7
SCHEMBL9173367 0.93 CETP (0.33) TSHRADH1BADH1CADH1AADH7
SCHEMBL22098328 0.93 TSHR (0.36) TSHRADH1BADH1CADH1AADH7
SCHEMBL6898635 0.90
SCHEMBL2236262 0.86 TSHR (0.34) TSHRADH1BADH1CADH1AADH7
SCHEMBL1633195 0.85
SCHEMBL11503129 0.85 TSHR (0.38) TSHRADH1BADH1CADH1AADH7
SCHEMBL9646862 0.85 TSHR (0.38) TSHRADH1BADH1CADH1AADH7
SCHEMBL3193317 0.83 TSHR (0.39) TSHRADH1BADH1CADH1AADH7
SCHEMBL3963526 0.81 TSHR (0.42) TSHRADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058305-B2 Pyrrolidine derivatives as prostaglandin modulators MERCK SERONO SA (CH) 2011-11-15 US disclosed
EP-1458679-B1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7635713-B2 Pyrrolidine derivatives as prostaglandin modulators LABORATOIRES SERONO SA (CH) 2009-12-22 US disclosed
US-20090292000-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS LABORATOIRES SERONO S.A. (CH) 2009-11-26 US disclosed
US-20080114051-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-05-15 US disclosed
US-7335680-B2 Pyrrolidine derivatives as prostaglandin modulators LABORATOIRES SERONO SA (CH) 2008-02-26 US disclosed
US-20050176800-A1 Pyrrolidine derivatives as prostaglandin modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-11 US disclosed
EP-1458679-A2 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP disclosed
WO-2003053923-A2 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 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 (3 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-20090292000-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS PGF, PTGIS, PDE5A TSHR 3433/4885ADH1B 1109/4885ADH1C 159/4885
US-20050176800-A1 Pyrrolidine derivatives as prostaglandin modulators PGF, PTGIS, PTGIR TSHR 3698/4885ADH1B 981/4885ADH1C 223/4885
US-20080114051-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS PGF, PTGIS, PDE5A TSHR 3433/4885ADH1B 1109/4885ADH1C 159/4885

“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.