SCHEMBL13025922

SCHEMBL13025922

CCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(C(F)F)c3F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RARB P10826 8/20 0.47
THRB P10828 5/20 0.45
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 2/20 0.41
MPL P40238 2/20 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
SCHEMBL12834392 0.90 TP53 (0.42) MAPTSMN1; SMN2THRBALDH1A1KMT2A
SCHEMBL12834692 0.84 RARB (0.45) MAPTRARBMEN1ALDH1A1RARA
SCHEMBL13026018 0.81 HRH3 (0.43) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL13025840 0.81 RARB (0.49) MAPTSMN1; SMN2RARBTHRBMEN1
SCHEMBL13025924 0.80 RARB (0.38) RARBRARAMPL
SCHEMBL10922933 0.80 RARB (0.65) MAPTSMN1; SMN2RARBTHRBMEN1
SCHEMBL13025841 0.80 THRB (0.44) MAPTSMN1; SMN2RARBTHRBMEN1
SCHEMBL10924225 0.79 RARB (0.64) MAPTSMN1; SMN2RARBTHRBMEN1
SCHEMBL9405901 0.79 RARB (0.53) MAPTSMN1; SMN2RARBTHRBMEN1
SCHEMBL9405742 0.79 RARB (0.53) MAPTSMN1; SMN2RARBTHRBMEN1

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-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 MAPT 1989/4885SMN1; SMN2 3745/4885RARB 228/4885

“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.