SCHEMBL10301832

SCHEMBL10301832

CCc1ccc(/C=C/C2CCC(c3ccc(OC)cc3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CPS1 P31327 1/20 0.32
▸ FFAR1 O14842 8/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CYP27A1 Q02318 1/20 0.31
▸ CYP24A1 Q07973 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ TPH1 P17752 1/20 0.31
▸ MTNR1B P49286 1/20 0.31

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
SCHEMBL10301839 0.91 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1USP30P2RX7
SCHEMBL10301834 0.91 CAMKK1 (0.33) MEN1POLBKMT2ACPS1FFAR1
SCHEMBL10301833 0.89 HTR2A (0.35) CYP1A1CYP1A2CYP1B1
SCHEMBL12734141 0.86 CYP1A2 (0.35) CYP1A1CYP1A2CYP1B1USP30MEN1
SCHEMBL10302951 0.86 CYP1A2 (0.38) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL12889162 0.86 DRD4 (0.30) —
SCHEMBL12821198 0.84 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL12734161 0.83 FFAR1 (0.35) CYP1A1CYP1A2CYP1B1USP30FFAR1
SCHEMBL12716200 0.83 CYP1A2 (0.36) CYP1A1CYP1A2CYP1B1KDM1AMAOB
SCHEMBL10301827 0.83 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CYP1A1 927/4885CYP1A2 1655/4885CYP1B1 1114/4885

“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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