SCHEMBL1611323

SCHEMBL1611323

[CH2]CCCCc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CYP1A2 P05177 3/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CYP2A6 P11509 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1611043 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1610204 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1612447 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1487677 0.94 SIGMAR1 (0.53) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL133399 0.94 SIGMAR1 (0.58) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1610345 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL1610472 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL129049 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL27523237 0.91 SIGMAR1 (0.54) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL128560 0.88 SIGMAR1 (0.59) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 SIGMAR1 223/4885CYP1A2 125/4885HDAC1 2752/4885

“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.