SCHEMBL3871232

SCHEMBL3871232

CCC1(CCCSc2ccccc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL14254562 0.80 SMN1; SMN2 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL575895 0.70 ALDH1A1 (0.64) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL4179998 0.70 ALDH1A1 (0.64) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL420011 0.70 ALDH1A1 (0.78) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL1931125 0.70 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL19133464 0.69 ALDH1A1 (0.61) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
Fluoride SCHEMBL943089 0.69 ALDH1A1 (0.61) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
Fluoride SCHEMBL27793289 0.69 ALDH1A1 (0.61) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL2860864 0.69 ALDH1A1 (0.61) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL3868306 0.69 PSIP1 (0.46) ALDH1A1CYP2C19MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563924-B2 9-chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2009-07-21 US disclosed
US-7563924-B2 9-chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2009-07-21 US disclosed
US-7563924-B2 9-chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2009-07-21 US disclosed
EP-1816121-B1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-12 EP disclosed
EP-1816121-B1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-12 EP disclosed
US-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-08-30 US disclosed
US-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-08-30 US disclosed
US-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-08-30 US disclosed
EP-1816121-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 EP disclosed
EP-1816121-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 EP disclosed
WO-2007057232-A1 9-CHLORO-15-DEOXYPROSTAGLANDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-24 WO disclosed
WO-2007057232-A1 9-CHLORO-15-DEOXYPROSTAGLANDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-24 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 (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-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments PGF, PTGIS, CYP11B2 ALDH1A1 697/4885MAPK1 2520/4885KDM4E 3876/4885

“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.