SCHEMBL12738876

SCHEMBL12738876

CCCCCc1cnc(-c2ccc(CCc3ccc(-c4ccc(OC)c(F)c4)cc3)c(F)c2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.42
▸ RARB P10826 4/20 0.40
▸ RARA P10276 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12735639 0.89 RARB (0.46) CYP17A1RARBRARARARGMGLL
SCHEMBL12738874 0.86 RARB (0.41) RARBRARARARGCASP3SENP8
SCHEMBL10301944 0.85 CYP17A1 (0.49) CYP17A1RARBRARARARGMGLL
SCHEMBL12738881 0.85 NAAA (0.37) CYP17A1GRM2MAPTRAB9ASMN1; SMN2
SCHEMBL12738819 0.84 RAB9A (0.41) RARBCASP3SENP8SENP7SENP6
SCHEMBL12738880 0.82 RAB9A (0.47) RARBRARARARGCASP3SENP8
SCHEMBL12735645 0.82 RARB (0.45) RARBRARARARGMAPTRAB9A
SCHEMBL12738875 0.81 CYP17A1 (0.44) CYP17A1GRM2CASP3SENP8SENP7
SCHEMBL12738869 0.81 RARB (0.37) RARBRARARARGKDM4EMEN1
SCHEMBL12718404 0.81 RAB9A (0.38) RARBRARARARGKDM4EMEN1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CYP17A1 1283/4885RARB 2705/4885RARA 2089/4885

“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.

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