SCHEMBL12735652

SCHEMBL12735652

COc1ccc(-c2ccc(CCc3ccc(-c4ccc(CO)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.47
FYN P06241 1/20 0.40
TDP2 O95551 1/20 0.40
KIF11 P52732 1/20 0.40
PTGS2 P35354 4/20 0.40
NAAA Q02083 3/20 0.40
PTGS1 P23219 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
ERN1 O75460 2/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL12823192 0.91 CYP17A1 (0.47) CYP17A1TDP2PTGS2NAAAPTGS1
SCHEMBL12735633 0.91 CYP17A1 (0.47) CYP17A1TDP2PTGS2NAAAPTGS1
SCHEMBL10301950 0.90 CYP17A1 (0.51) CYP17A1PTGS2NAAAFFAR1ERN1
SCHEMBL12735563 0.89 FYN (0.39) FYNMEN1ALDH1A1KMT2AERN1
SCHEMBL12740101 0.89 FYN (0.39) FYNMEN1ALDH1A1KMT2AERN1
SCHEMBL12735651 0.88 NAAA (0.40) CYP17A1FYNKIF11PTGS2NAAA
SCHEMBL12738888 0.88 CYP17A1 (0.44) CYP17A1FYNTDP2PTGS2NAAA
SCHEMBL12740140 0.87 CYP17A1 (0.44) CYP17A1FYNPTGS2PTGS1ALDH1A1
SCHEMBL12735639 0.87 RARB (0.46) CYP17A1TDP2PTGS2NAAAPTGS1
SCHEMBL10303004 0.86 CYP17A1 (0.55) CYP17A1TDP2NAAAFFAR1ERN1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
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 1283/4885FYN 211/4885TDP2 3499/4885

“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.