SCHEMBL13338154

SCHEMBL13338154

CN(c1cc(F)c(F)cc1F)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.47
DHFR P00374 1/20 0.45
HPRT1 P00492 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL13338150 0.83 SIGMAR1 (0.45) SIGMAR1DHFRHPRT1MCL1CYP1A2
SCHEMBL1683320 0.83 SIGMAR1 (0.63) SIGMAR1DHFRMCL1CYP1A2CYP2D6
SCHEMBL13338151 0.78 SIGMAR1 (0.46) SIGMAR1DHFRHPRT1MCL1CYP1A2
SCHEMBL12258286 0.75 SIGMAR1 (0.50) SIGMAR1DHFRHPRT1MCL1CYP1A2
SCHEMBL13338152 0.75 SIGMAR1 (0.50) SIGMAR1DHFRMCL1CYP1A2CYP2D6
SCHEMBL15787133 0.74 CYP2A6 (0.56) SIGMAR1DHFRMCL1CYP1A2CYP2D6
SCHEMBL13338153 0.74 SIGMAR1 (0.49) SIGMAR1DHFRCYP1A2CYP2D6CYP2C19
SCHEMBL15856551 0.72 MCL1 (0.40) SIGMAR1MCL1CYP1A2CYP2C19
SCHEMBL15856432 0.72 MCL1 (0.40) SIGMAR1DHFRMCL1CYP2C19
SCHEMBL1414206 0.72 SIGMAR1 (0.57) SIGMAR1DHFRCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680336-B2 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2014-03-25 US disclosed
US-8680336-B2 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2014-03-25 US disclosed
US-20100126563-A1 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2010-05-27 US disclosed
US-20100126563-A1 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2010-05-27 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-20100126563-A1 Dyes for dye sensitized solar cell TYR, XPA, PAH SIGMAR1 2130/4885DHFR 1953/4885HPRT1 1058/4885

“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.