SCHEMBL13295693

SCHEMBL13295693

Cc1ccc(C2CCC(c3ccc(C)cc3)C(F)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A2 P23975 9/20 0.38
▸ SLC6A4 P31645 9/20 0.38
▸ SLC6A3 Q01959 9/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35

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
SCHEMBL18472944 0.92 ESR2 (0.46) LMNAHTR2AHTR2CHTR2BSLC6A2
SCHEMBL19621827 0.92 ESR2 (0.46) LMNAHTR2AHTR2CHTR2BSLC6A2
SCHEMBL24799881 0.87 ESR2 (0.41) LMNAHTR2AHTR2CHTR2BSLC6A2
SCHEMBL19624016 0.84 SPHK1 (0.47) SLC6A3
SCHEMBL18472839 0.79 SLC6A2 (0.38) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL20614364 0.76 HTR2A (0.37) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL19311575 0.76 HTR2A (0.37) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL18511247 0.76 HTR2A (0.44) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL1405569 0.75 ESR2 (0.50) LMNAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL15451574 0.74 ESR2 (0.41) LMNASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102053-A2 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
US-7732021-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 — — US disclosed
US-20080277623-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-11-13 — — 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-20080277623-A1 Liquid Crystalline Medium CHRM1, NEFM, CCNT1 LMNA 80/4885HTR2A 3303/4885HTR2C 3506/4885

“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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