SCHEMBL12821302

SCHEMBL12821302

CCC1CCC(c2ccc(C(=O)OC3CCC(c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.33
▸ OPRL1 P41146 4/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PDE2A O00408 2/20 0.31
▸ HCRTR2 O43614 1/20 0.30
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL13586348 0.93 CYP2C9 (0.38) OPRL1TP53GPR119
SCHEMBL13586224 0.90 CYP19A1 (0.37) CYP19A1TP53PDE2AHCRTR2
SCHEMBL12823069 0.90 CYP19A1 (0.37) CYP19A1TP53PDE2AHCRTR2
SCHEMBL13586393 0.90 TP53 (0.33) TP53PDE2AHCRTR2
SCHEMBL13586267 0.90 CYP19A1 (0.34) CYP19A1OPRL1TP53PDE2AHCRTR2
SCHEMBL12822980 0.86 TP53 (0.32) TP53PDE2AGPR119
SCHEMBL13586418 0.86 PDE2A (0.30) PDE2A
SCHEMBL12737634 0.86 NAAA (0.39) CYP19A1
SCHEMBL12737640 0.86 KDM1A (0.39) CYP19A1
SCHEMBL13586345 0.85 TP53 (0.31) TP53PDE2A

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 CYP19A1 1358/4885OPRL1 2073/4885TP53 3599/4885

“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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