SCHEMBL20126359

SCHEMBL20126359

CCCCCc1ccc(-c2cc(F)c(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.43
RARA P10276 2/20 0.43
RARG P13631 1/20 0.43
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 2/20 0.34
SPHK1 Q9NYA1 3/20 0.33
CNR2 P34972 2/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20126358 0.79 CHKA (0.36) RARBRARARARGHRH3HSD17B10
SCHEMBL20126352 0.76 MPL (0.38) RARBHRH3HSD11B1
SCHEMBL20126349 0.74 SPHK1 (0.34) HRH3SPHK1
SCHEMBL18214107 0.73 RARB (0.37) RARBRARARARGHRH3HSD17B10
SCHEMBL20128627 0.73 RARB (0.44) RARBRARARARGHRH3MEN1
SCHEMBL20128537 0.72 ACE2 (0.41) RARBRARARARGSPHK1CNR2
SCHEMBL18214093 0.72 CNR1 (0.35) RARBRARARARGHSD17B10MAPT
SCHEMBL20126339 0.71 SPHK1 (0.43) RARBHRH3TSHRHSD17B10SPHK1
SCHEMBL16258126 0.70 RARB (0.61) RARBRARARARGHRH3TSHR
SCHEMBL6558048 0.70 RARB (0.61) RARBRARARARGHRH3TSHR

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 RARB 1215/4885RARA 882/4885RARG 1718/4885

“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.