SCHEMBL11892136

SCHEMBL11892136

CC(C)(C)CCCCCCCc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
TSHR P16473 2/20 0.50
NPC1 O15118 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11892185 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892135 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892140 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892230 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892144 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892223 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892220 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892231 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892225 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2
SCHEMBL11892229 1.00 TAAR1 (0.52) TAAR1TSHRNPC1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 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-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 TAAR1 704/4885TSHR 2866/4885NPC1 1980/4885

“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.