SCHEMBL1610231

SCHEMBL1610231

CCCC[CH]c1cc(C)cc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.35
TSHR P16473 1/20 0.33
CRHR1 P34998 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL1609290 0.94 TSHR (0.34) PDE5ATSHRCRHR1POLBHPGD
SCHEMBL1610541 0.93 TSHR (0.38) PDE5ATSHRALDH1A1
SCHEMBL1611562 0.93 TSHR (0.38) PDE5ATSHRALDH1A1
SCHEMBL1610690 0.88 CRHR1 (0.30) CRHR1
SCHEMBL1610627 0.82 TSHR (0.34) TSHRALDH1A1
SCHEMBL1610750 0.81 RAPGEF4 (0.33)
SCHEMBL1611836 0.78 SIRT2 (0.34) PDE5ATSHRCRHR1POLBHPGD
SCHEMBL1611373 0.77 TSHR (0.35) TSHR
SCHEMBL1612321 0.77 ALDH1A1 (0.44) PDE5AALDH1A1LMNAALOX12
SCHEMBL1610292 0.77 PDE5A (0.44) PDE5AALDH1A1LMNAALOX12

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 PDE5A 3568/4885TSHR 2994/4885CRHR1 4394/4885

“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.