SCHEMBL12458505

SCHEMBL12458505

COc1cc(-c2cc(C)c(Cl)cc2OC)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HSP90AA1 P07900 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HSP90AB1 P08238 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 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
SCHEMBL10356771 0.84 GAA (0.54) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL1755249 0.78 NPC1 (0.58) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL13176877 0.77 CD44 (0.50) GAAALDH1A1KDM4ELMNAGLA
SCHEMBL29587813 0.75 GLA (0.53) GAANPC1ALDH1A1KDM4ELMNA
SCHEMBL383766 0.75 GAA (0.54) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL8233721 0.75 GLA (0.53) GAANPC1ALDH1A1KDM4ELMNA
Chloroneb SCHEMBL22739 0.74 GAA (0.64) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL20093444 0.74 LMNA (0.47) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL92052 0.73 GAA (0.52) GAANPC1ALDH1A1HSP90AA1KDM4E
SCHEMBL91989 0.73 GAA (0.58) GAANPC1ALDH1A1HSP90AA1HSP90AB1

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-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 — — US disclosed
US-20120238765-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 — — 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-20120238765-A1 AROMATIC COMPOUND AHR, AR, NR0B1 GAA 3755/4885NPC1 1904/4885ALDH1A1 2125/4885

“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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