SCHEMBL1610402

SCHEMBL1610402

CCCCC[CH]c1cc(C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
PDE5A O76074 2/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TLR8 Q9NR97 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1611849 0.98 ALDH1A1 (0.43) ALDH1A1LMNAALOX12PDE5AALOX5
SCHEMBL1610680 0.98 ALDH1A1 (0.43) ALDH1A1LMNAALOX12PDE5AALOX5
SCHEMBL1612321 0.94 ALDH1A1 (0.44) ALDH1A1LMNAALOX12PDE5AALOX5
SCHEMBL1610115 0.86 ALOX5 (0.42) ALDH1A1LMNAALOX12PDE5AALOX5
SCHEMBL1611182 0.85 PDE5A (0.40) ALDH1A1LMNAALOX12PDE5ATLR8
SCHEMBL1611671 0.84 PDE5A (0.39) ALDH1A1LMNAALOX12PDE5ATLR8
SCHEMBL1609536 0.84 PDE5A (0.39) ALDH1A1LMNAALOX12PDE5ATLR8
SCHEMBL1610588 0.80 ALOX5 (0.46) ALDH1A1LMNAALOX12ALOX5PTGS1
SCHEMBL1610292 0.79 PDE5A (0.44) ALDH1A1LMNAALOX12PDE5ATLR8
SCHEMBL1609290 0.78 TSHR (0.34) PDE5A

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 ALDH1A1 137/4885LMNA 4544/4885ALOX12 874/4885

“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.