SCHEMBL10301943

SCHEMBL10301943

CCc1ccc(CCc2ccc(-c3ccc(OC)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.52
TDP2 O95551 1/20 0.41
ERN1 O75460 1/20 0.41
FFAR1 O14842 1/20 0.41
NAAA Q02083 2/20 0.41
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL10303004 0.92 CYP17A1 (0.55) CYP17A1TDP2ERN1FFAR1NAAA
SCHEMBL12735633 0.89 CYP17A1 (0.47) CYP17A1TDP2NAAAMGLLKDM4E
SCHEMBL10301944 0.88 CYP17A1 (0.49) CYP17A1NAAAMGLL
SCHEMBL10301945 0.88 NAAA (0.42) CYP17A1FFAR1NAAAKDM4EPOLB
SCHEMBL10301950 0.88 CYP17A1 (0.51) CYP17A1ERN1FFAR1NAAAMGLL
SCHEMBL10303023 0.87 CYP17A1 (0.47) CYP17A1ERN1NAAAPDGFRBPDGFRA
SCHEMBL10302213 0.84 CYP17A1 (0.50) CYP17A1TDP2ERN1FFAR1NAAA
SCHEMBL12735652 0.84 CYP17A1 (0.47) CYP17A1TDP2ERN1FFAR1NAAA
SCHEMBL12823192 0.84 CYP17A1 (0.47) CYP17A1TDP2FFAR1NAAA
SCHEMBL10303309 0.83 TDP2 (0.49) CYP17A1TDP2ERN1FFAR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CYP17A1 1641/4885TDP2 3582/4885ERN1 837/4885

“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.