SCHEMBL13299929

SCHEMBL13299929

c1ccc(-c2cc3cc4ccccc4cc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.59
▸ ESR2 Q92731 4/20 0.59
▸ APP P05067 2/20 0.52
▸ HSD17B1 P14061 2/20 0.50
▸ HSD17B2 P37059 2/20 0.50
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ERN1 O75460 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ STS P08842 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NQO1 P15559 1/20 0.38

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
SCHEMBL2368401 0.94 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL15562433 0.94 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL2368615 0.94 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL2150417 0.94 ESR1 (0.66) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL13299951 0.91 ESR1 (0.63) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL12562738 0.89 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL20804575 0.89 ESR1 (0.61) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL25442152 0.88 ESR1 (0.59) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL20662911 0.88 ESR1 (0.59) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL24368958 0.87 ESR1 (0.47) ESR1ESR2APPHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073938-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-07-07 — — US disclosed
US-9073938-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-07-07 — — US disclosed
US-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-03 — — US disclosed
US-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-03 — — 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 (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-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SCLY, TYR, CBS ESR1 1276/4885ESR2 458/4885APP 1957/4885

“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.

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