SCHEMBL20816319

SCHEMBL20816319

Nc1cc(O)ccc1-n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
CA14 Q9ULX7 4/20 0.43
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33

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
SCHEMBL13082241 0.78 ALDH1A1 (0.60) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL14067619 0.76 ENPP2 (0.53) ALDH1A1GAACA14CA12CA2
SCHEMBL4506284 0.75 ALDH1A1 (0.56) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL11831650 0.75 ALDH1A1 (0.56) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL20816327 0.75 ALDH1A1 (0.61) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL23685619 0.75 ESR2 (0.51) KDM4ELMNATDP1CYP3A4ESR1
SCHEMBL30758084 0.75 ALDH1A1 (0.61) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL29171465 0.73 KDM4E (0.57) ALDH1A1PKMKDM4EGAALMNA
SCHEMBL7524892 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EGAACA14CA12
SCHEMBL30932470 0.72 ALDH1A1 (0.68) ALDH1A1PKMKDM4EGAACA2

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-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 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 (2 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-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 RAD51, MRE11, DDB1 ALDH1A1 4305/4885PKM 4070/4885KDM4E 3125/4885
US-10973819-B2 Small molecules inhibitors of RAD51 RAD51, MRE11, DDB1 ALDH1A1 4305/4885PKM 4070/4885KDM4E 3125/4885

“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.