SCHEMBL1611569

SCHEMBL1611569

[C]#CC(CCC)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A4 P31645 1/20 0.42
AOC3 Q16853 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL1306451 0.91 HPRT1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1610297 0.90 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1612032 0.89 KDM4E (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1612396 0.86 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1611543 0.86 PPARG (0.33) ALDH1A1SLC6A4GAA
SCHEMBL3225199 0.83 CYP2C9 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
Hydrochloric Acid SCHEMBL10433750 0.82 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1612475 0.77 ESR1 (0.39) CYP2C9CYP2C19SLC6A4GAATSHR
SCHEMBL1610807 0.77 MEN1 (0.33) ALDH1A1KMT2AGAA
SCHEMBL1379349 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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 137/4885CYP1A2 125/4885CYP2C9 823/4885

“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.