SCHEMBL12821319

SCHEMBL12821319

CCCC(O)c1ccc(-c2ccc(OCc3ccc(-c4ccc(O)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MGLL Q99685 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL13586388 0.91 FAAH (0.42) FAAHERN1FFAR4FFAR1KDM4E
SCHEMBL12823854 0.91 FFAR4 (0.33) CYP3A4FAAHESR1ESR2FFAR4
SCHEMBL12822925 0.91 FFAR4 (0.33) CYP3A4FAAHESR1ESR2FFAR4
SCHEMBL12823210 0.88 ABCB1 (0.38) CYP3A4ABCB1FAAHESR1ESR2
SCHEMBL12821312 0.87 KMT2A (0.37) FAAHFFAR4FFAR1KDM4EMAPT
SCHEMBL12822822 0.87 KMT2A (0.37) FAAHFFAR4FFAR1KDM4EMAPT
SCHEMBL12823597 0.87 ADRB3 (0.40) FFAR1KDM4EMAPTMAPK1
SCHEMBL10303195 0.86 FFAR1 (0.39) CYP3A4FAAHERN1FFAR4FFAR1
SCHEMBL12823598 0.85 FFAR1 (0.36) CYP3A4ABCB1FAAHESR1ESR2
SCHEMBL10303070 0.85 CYP17A1 (0.38) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2

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 1 patent. 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

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 CYP17A1 1283/4885CYP3A4 2310/4885CYP19A1 1358/4885

“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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