SCHEMBL801000

SCHEMBL801000

Cc1ccc([C@H](O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
TDP1 Q9NUW8 5/20 0.42
ACHE P22303 3/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 6/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
RECQL P46063 4/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL801325 1.00 CHRNA7 (0.48) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL801235 1.00 CHRNA7 (0.48) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL6839350 0.89 KDM4E (0.46) TDP1KDM4ELMNAHIF1AADRA2A
SCHEMBL11938483 0.86 CHRNA7 (0.55) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL11938485 0.86 CHRNA7 (0.55) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL3693273 0.86 CHRNA7 (0.55) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL19200934 0.85 CHRNA7 (0.44) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL18811854 0.81 CHRNA7 (0.41) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL9790482 0.81 NOS3 (0.45) TDP1KDM4ELMNAHIF1AADRA2A
SCHEMBL29861025 0.81 CYP3A4 (0.46) TDP1KDM4ELMNAHIF1AADRA2A

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-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CHRNA7 1643/4885TDP1 3448/4885ACHE 4299/4885

“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.