SCHEMBL12739611

SCHEMBL12739611

CCCCCc1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RARB P10826 4/20 0.41
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RARA P10276 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ FFAR1 O14842 2/20 0.36

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
SCHEMBL12734752 0.94 RARB (0.44) RAB9AMAPTL3MBTL1RARBS1PR1
SCHEMBL12739610 0.93 CYP1A1 (0.40) RAB9AMAPTS1PR1S1PR3CYP1A1
SCHEMBL12739609 0.91 CYP1A1 (0.49) L3MBTL1RARBCYP1A1CYP1A2CYP1B1
SCHEMBL14766785 0.89 FFAR1 (0.46) RAB9AMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL12739607 0.88 MAOB (0.42) RAB9AMAPTL3MBTL1CYP1A1CYP1A2
SCHEMBL14766786 0.88 RELA (0.47) RAB9AMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL10301755 0.88 RARB (0.39) RAB9AMAPTL3MBTL1RARBKDM4E
SCHEMBL12739618 0.87 CYP1A1 (0.40) RAB9AMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL12739615 0.87 CYP1A1 (0.42) RAB9AMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL12734748 0.86 HMOX1 (0.39) RAB9AMAPTRARBS1PR1S1PR3

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 RAB9A 972/4885MAPT 1075/4885L3MBTL1 202/4885

“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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