SCHEMBL11893604

SCHEMBL11893604

CCCCc1ccc(-c2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.48
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLK1 P53350 1/20 0.39
THRB P10828 3/20 0.39
THRA P10827 1/20 0.39
MPL P40238 1/20 0.38

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
SCHEMBL1367878 0.97 RARB (0.49) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL14525759 0.96 RARB (0.42) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11893371 0.96 RARB (0.50) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11911605 0.96 RARB (0.50) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11893423 0.96 RARB (0.50) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11893343 0.96 RARB (0.50) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11893340 0.96 RARB (0.50) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11893359 0.96 RARB (0.50) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL8066396 0.93 RARB (0.46) RARBRARARARGMAPTSMN1; SMN2
SCHEMBL11893356 0.93 MAPT (0.47) RARBRARARARGMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603595-B2 Liquid crystalline compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-12-10 US disclosed
WO-2012105380-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-08-09 WO disclosed
US-20120194775-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-08-02 US disclosed
US-20120194775-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-08-02 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-20120194775-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, SFXN1, CRY1 RARB 3134/4885RARA 3206/4885RARG 2778/4885

“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.