SCHEMBL16979155

SCHEMBL16979155

CCCCCc1ccc(CCCCc2ccc(C(=O)CC)c(C)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.47
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
ALDH1A1 P00352 3/20 0.44
FAAH O00519 1/20 0.43
PPARA Q07869 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16979170 0.86 L3MBTL1 (0.38) RARBRARARARGTHRBALDH1A1
SCHEMBL16979169 0.84 RARB (0.51) RARBRARARARGTHRATHRB
SCHEMBL16979151 0.84 CNR2 (0.36) ADRA2ATP53CYP3A4CHRM2CHRM5
SCHEMBL16979166 0.77 THRB (0.44) RARBRARARARGTHRATHRB
SCHEMBL19441870 0.77 FAAH (0.36) RARBRARARARGTHRATHRB
SCHEMBL16979138 0.74 HTT (0.39) THRATHRBALDH1A1KDM4EMEN1
SCHEMBL18364622 0.74 TYR (0.50) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL16979168 0.74 FAAH (0.47) RARBRARARARGTHRATHRB
SCHEMBL16979131 0.74 TSHR (0.37) RARBRARARARGTHRATHRB
SCHEMBL16979189 0.74 ALDH1A1 (0.46) RARBRARARARGTHRATHRB

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-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 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-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE RCC2, RCC1, ROCK2 RARB 496/4885RARA 495/4885RARG 1339/4885

“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.