SCHEMBL13616189

SCHEMBL13616189

Cc1cc(Cc2ccc(C)c(Cl)c2)c(C)c(Cc2ccc(C)c(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM1A O60341 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL13845011 0.86 KDM4E (0.38) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL12107538 0.82 CYP3A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14397402 0.79 CYP3A4 (0.47) SLC6A4SLC6A2SLC6A3RAPGEF4CYP3A4
SCHEMBL12706760 0.76 CYP3A4 (0.48) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14649874 0.75 CYP3A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL253442 0.73 CALM1 (0.48) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL12607303 0.72 CYP3A4 (0.77) CYP3A4ALDH1A1NPSR1CYP2C19HSD17B10
SCHEMBL14397100 0.72 SOS1 (0.47) SLC6A4HTR2AKCNH2RAPGEF4CYP3A4
SCHEMBL13609011 0.71 CYP2C9 (0.66) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19
SCHEMBL14864961 0.71 CYP2C9 (0.60) SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19

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-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR CORPORATION (JP) 2009-11-12 US disclosed
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR CORPORATION (JP) 2009-11-12 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 (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-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN ACP1, PLG, ALG1 SLC6A4 4824/4885SLC6A2 4837/4885SLC6A3 4769/4885

“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.