SCHEMBL3381317

SCHEMBL3381317

CC1CC(C)(C)Nc2ccc(N)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ HTT P42858 1/20 0.61
▸ PGR P06401 10/20 0.49
▸ AR P10275 6/20 0.49
▸ NR3C1 P04150 2/20 0.49
▸ NR3C2 P08235 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35

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 SCHEMBL3378762 0.98 ALDH1A1 (0.60) ALDH1A1HTTPGRARNR3C1
SCHEMBL6653007 0.87 ALDH1A1 (0.50) ALDH1A1HTTPGRARNR3C1
SCHEMBL13905780 0.81 ALDH1A1 (0.63) ALDH1A1HTTPGRARNR3C1
SCHEMBL6566824 0.81 ALDH1A1 (0.63) ALDH1A1HTTPGRARNR3C1
SCHEMBL14283945 0.80 ALDH1A1 (0.61) ALDH1A1HTTPGRARNR3C1
SCHEMBL10840856 0.80 ALDH1A1 (0.61) ALDH1A1HTTPGRARNR3C1
SCHEMBL16778351 0.80 ALDH1A1 (0.61) ALDH1A1HTTPGRARNR3C1
SCHEMBL30973127 0.80 ALDH1A1 (0.60) ALDH1A1HTTPGRARNR3C1
SCHEMBL30973176 0.79 ALDH1A1 (0.60) ALDH1A1HTTPGRARNR3C1
SCHEMBL10840878 0.78 ALDH1A1 (0.58) ALDH1A1HTTPGRARNR3C1

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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 — — US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 — — 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 ALDH1A1 1053/4885HTT 4336/4885PGR 288/4885

“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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