SCHEMBL11353545

SCHEMBL11353545

c1ccc2cc(C3(Cn4ccnc4)OCCO3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
POLB P06746 1/20 0.44
HMOX1 P09601 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SOD1 P00441 1/20 0.40

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
Hydrochloric Acid SCHEMBL9996057 0.99 CYP19A1 (0.49) CYP19A1POLBHMOX1TSHRMAPK1
SCHEMBL11356373 0.95 CYP19A1 (0.48) CYP19A1POLBHMOX1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11356376 0.94 CYP19A1 (0.47) CYP19A1POLBHMOX1CYP11B1CYP11B2
SCHEMBL11248520 0.88 CYP19A1 (0.48) CYP19A1POLBCYP11B1CYP11B2SOD1
SCHEMBL11188956 0.88 POLB (0.41) CYP19A1POLBHMOX1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11353678 0.87 CYP19A1 (0.45) CYP19A1POLBHMOX1CYP11B1CYP11B2
SCHEMBL11032970 0.85 HMOX1 (0.44) CYP19A1HMOX1
Hydrochloric Acid SCHEMBL11355501 0.85 CYP19A1 (0.41) CYP19A1POLBHMOX1
SCHEMBL10247576 0.84 TSHR (0.50) CYP19A1POLBHMOX1TSHRMAPK1
SCHEMBL11247856 0.83 CYP19A1 (0.46) CYP19A1POLBCYP11B1CYP11B2SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001926-B1 1-(NAPHTHYLETHYL)IMIDAZOLE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1981-04-29 EP claimed
EP-0001926-A1 1-(Naphthylethyl)imidazole derivatives, their preparation, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1979-05-16 EP claimed
US-4150153-A ANTICONVULSANTS, GASTRIC ANTISECRETORY AGENTS SYNTEX (U.S.A.) INC. (US) 1979-04-17 US claimed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
EP-0001926-B1 1-(NAPHTHYLETHYL)IMIDAZOLE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1981-04-29 EP disclosed
EP-0001926-A1 1-(Naphthylethyl)imidazole derivatives, their preparation, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1979-05-16 EP disclosed
US-4150153-A ANTICONVULSANTS, GASTRIC ANTISECRETORY AGENTS SYNTEX (U.S.A.) INC. (US) 1979-04-17 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 (2 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 CYP19A1 884/4885POLB 823/4885HMOX1 2/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885POLB 643/4885HMOX1 1/4885

“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.