SCHEMBL12823036

SCHEMBL12823036

C=CCOc1ccc(C2CCC(OCc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ ACACB O00763 1/20 0.32
▸ HTR2A P28223 5/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 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
SCHEMBL12719272 1.00 HTR2C (0.33) HTR2CHTR2BACACBHTR2AMEN1
SCHEMBL12822794 0.91 PDE4A (0.33) HTR2CHTR2B
SCHEMBL12823459 0.90 ACACB (0.33) ACACB
SCHEMBL12823409 0.90 ACACB (0.33) ACACB
SCHEMBL12716595 0.90 HTR2C (0.39) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL10303225 0.89 HTR2C (0.32) HTR2CHTR2BACACBHTR2AMEN1
SCHEMBL12823458 0.89 ACACB (0.35) ACACB
SCHEMBL12821191 0.88 GPR119 (0.34) ACACBHTR2AMEN1CYP2D6KMT2A
SCHEMBL14766814 0.88 HTR2C (0.36) HTR2CHTR2BHTR2ALMNA
SCHEMBL14766062 0.88 HTR2C (0.36) HTR2CHTR2BHTR2ALMNA

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-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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 HTR2C 253/4885HTR2B 932/4885ACACB 3260/4885

“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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