SCHEMBL803199

SCHEMBL803199

CCc1ccc(-c2ccc3c(c2C)CCc2c-3ccc(-c3ccc(CP)cc3)c2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.35
PARP11 Q9NR21 2/20 0.35
NISCH Q9Y2I1 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
XDH P47989 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GCGR P47871 1/20 0.30
MAPK14 Q16539 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
SCHEMBL803204 0.89 PARP10 (0.35) PARP10PARP11
SCHEMBL803052 0.82 ESR1 (0.44)
SCHEMBL802620 0.74 ESR1 (0.43)
SCHEMBL18806006 0.72 CD274 (0.34)
SCHEMBL20382359 0.70 PDCD1 (0.33)
SCHEMBL803020 0.69 SLC22A8 (0.34)
SCHEMBL803030 0.67 PDCD1 (0.30)
SCHEMBL26032092 0.66 RARB (0.39) S1PR1
SCHEMBL15071846 0.66 TP53 (0.43) ALDH1A1TDP1SMN1; SMN2
SCHEMBL19390221 0.65 CD274 (0.45) S1PR1EGFRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 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-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 PARP10 2238/4885PARP11 2865/4885NISCH 2897/4885

“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.