SCHEMBL10729232

SCHEMBL10729232

COc1cc(CC(C)=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
MAPT P10636 6/20 0.53
CYP2D6 P10635 1/20 0.53
GRM8 O00222 1/20 0.52
GRM4 Q14833 1/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
JUN P05412 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
TTR P02766 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
EGFR P00533 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL11158875 0.88 RAB9A (0.55) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL31032579 0.87 ALDH1A1 (0.46) RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL10728788 0.87 ALDH1A1 (0.46) RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL16309275 0.86 GPR35 (0.55) MAPTALDH1A1KDM4ETTRTDP1
SCHEMBL10751886 0.86 RAB9A (0.53) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL7031564 0.84 RAB9A (0.60) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL11154751 0.83 RAB9A (0.51) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL8297049 0.83 RAB9A (0.59) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL345717 0.83 RAB9A (0.59) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL2913406 0.82 LMNA (0.57) MAPTCYP2D6ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388384-A Organic selenium-propiophenone derivative and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-07-26 CN disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
EP-0101223-B1 PROCESS FOR PRODUCING PHENYLACETONES UBE INDUSTRIES, LTD. (JP) 1987-04-01 EP disclosed
US-4638094-A OXIDATION OF PROPYLENEBENZENES UBE INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
EP-0101223-A2 Process for producing phenylacetones UBE INDUSTRIES, LTD. (JP) 1984-02-22 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-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 RAB9A 1967/4885MAPT 3387/4885CYP2D6 1472/4885

“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.