SCHEMBL11933274

SCHEMBL11933274

CCCCOc1ccc(-c2ccc(C3=CCC(OC(=O)c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.34
▸ RARA P10276 2/20 0.34
▸ RARG P13631 1/20 0.33
▸ PPARD Q03181 7/20 0.33
▸ PPARA Q07869 5/20 0.33
▸ PPARG P37231 1/20 0.33
▸ CCNT1 O60563 5/20 0.32
▸ CDK9 P50750 5/20 0.32
▸ NAAA Q02083 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR3D Q70Z44 1/20 0.31
▸ HTR3C Q8WXA8 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL11933273 0.96 CCNT1 (0.33) CCNT1CDK9NAAAFFAR4PDE5A
SCHEMBL15381623 0.94 RARA (0.36) RARBRARARARGPPARDPPARA
SCHEMBL11933277 0.94 PPARD (0.34) RARBRARARARGPPARDPPARA
SCHEMBL11933271 0.94 CCNT1 (0.33) CCNT1CDK9NAAAPDE5AHDAC1
SCHEMBL11933269 0.91 CCNT1 (0.33) CCNT1CDK9HTR3EHTR3BHTR3A
SCHEMBL11933361 0.91 CCNT1 (0.33) CCNT1CDK9HTR3EHTR3BHTR3A
SCHEMBL11933368 0.90 RARB (0.36) RARBRARARARGPPARDPPARA
SCHEMBL11933276 0.90 CCNT1 (0.33) PPARDPPARAPPARGCCNT1CDK9
SCHEMBL15381530 0.89 NAAA (0.35) CCNT1CDK9NAAAFFAR4PDE5A
SCHEMBL15381689 0.88 RARA (0.36) RARBRARARARGPPARDPPARA

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 RARB 1251/4885RARA 1107/4885RARG 1982/4885

“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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