SCHEMBL12623904

SCHEMBL12623904

CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(-c5cc(F)c(C(F)(F)F)c(F)c5)c(F)c4)cc3)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.45
RARA P10276 3/20 0.45
RARG P13631 1/20 0.45
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
HSD11B1 P28845 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL12624904 0.97 RARB (0.44) RARBRARARARGS1PR1S1PR3
SCHEMBL2394492 0.96 RARB (0.45) RARBRARARARGS1PR1S1PR3
SCHEMBL12625659 0.95 RARB (0.44) RARBRARARARGS1PR1S1PR3
SCHEMBL12623685 0.95 RARB (0.44) RARBRARARARGS1PR1S1PR3
SCHEMBL12624701 0.95 RARB (0.44) RARBRARARARGS1PR1S1PR3
SCHEMBL12625650 0.94 RARB (0.43) RARBRARARARGS1PR1S1PR3
SCHEMBL12624912 0.94 RARB (0.43) RARBRARARARGS1PR1S1PR3
SCHEMBL12624702 0.94 RARB (0.46) RARBRARARARGS1PR1S1PR3
SCHEMBL12623678 0.94 RARB (0.46) RARBRARARARGS1PR1S1PR3
SCHEMBL12625597 0.94 RARB (0.45) RARBRARARARGS1PR1S1PR3

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-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B RARB 2364/4885RARA 1623/4885RARG 2760/4885

“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.