SCHEMBL12834671

SCHEMBL12834671

CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2C(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.45
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
FAAH O00519 1/20 0.40
HSD11B1 P28845 2/20 0.40
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MPL P40238 2/20 0.38
MEN1 O00255 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL12834677 0.90 MPL (0.35) RARBHSD17B10MAPTMPLLMNA
SCHEMBL12834689 0.88 LMNA (0.35) TSHRALDH1A1MAPTLMNATP53
SCHEMBL9494755 0.87 RARB (0.52) RARBHSD17B10TSHRFAAHHSD11B1
SCHEMBL13025924 0.86 RARB (0.38) RARBFAAHHSD11B1RARARARG
SCHEMBL18779835 0.85 RARB (0.51) RARBHSD17B10TSHRFAAHHSD11B1
SCHEMBL9495358 0.85 RARB (0.55) RARBHSD17B10TSHRFAAHHSD11B1
SCHEMBL12834692 0.85 RARB (0.45) RARBHSD17B10TSHRHSD11B1RARA
SCHEMBL9563690 0.84 RARB (0.53) RARBHSD17B10TSHRFAAHHSD11B1
SCHEMBL10534085 0.82 RARB (0.49) RARBHSD17B10TSHRFAAHHSD11B1
SCHEMBL15682610 0.82 MPL (0.47) RARBHSD17B10FAAHHSD11B1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 RARB 228/4885HSD17B10 3401/4885TSHR 4239/4885

“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.