SCHEMBL12196489

SCHEMBL12196489

Cc1ccc(C2=CCC(c3cccc(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ HCAR2 Q8TDS4 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
SCHEMBL12223931 0.85 HTR2C (0.33) HTR2CHTR2BCCNT1CDK9HCAR2
SCHEMBL12196485 0.84 — —
SCHEMBL15381554 0.81 — —
SCHEMBL15381657 0.81 — —
SCHEMBL12196656 0.80 CCNT1 (0.31) CCNT1CDK9
SCHEMBL12196651 0.80 CCNT1 (0.31) CCNT1CDK9
SCHEMBL10301574 0.80 CCNT1 (0.31) CCNT1CDK9
SCHEMBL12196653 0.80 CCNT1 (0.31) CCNT1CDK9
SCHEMBL17356556 0.79 SLC6A4 (0.30) —
SCHEMBL11933104 0.79 FPR2 (0.32) CCNT1CDK9

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 HTR2C 201/4885HTR2B 1145/4885CCNT1 76/4885

“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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