SCHEMBL1893558

SCHEMBL1893558

O=C1CC(c2ccc(Br)cc2)Oc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.79
ADORA3 P0DMS8 3/20 0.79
AR P10275 3/20 0.79
CYP19A1 P11511 2/20 0.79
KDM4E B2RXH2 1/20 0.79
HSD17B10 Q99714 1/20 0.79
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
MAPT P10636 2/20 0.73
CYP3A4 P08684 1/20 0.73
MAPK1 P28482 1/20 0.73
GUSB P08236 2/20 0.57
HSD11B1 P28845 1/20 0.56
AKR1C3 P42330 1/20 0.56
MAOA P21397 1/20 0.55
PSMB5 P28074 1/20 0.55

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
SCHEMBL12660200 1.00 MAOB (0.79) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL19745 0.89 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL29470801 0.89 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL29843289 0.89 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL12660199 0.89 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL12189591 0.89 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL27435617 0.87 MAOB (0.96) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL22715765 0.87 MAOB (0.96) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL27291349 0.87 MAOB (0.96) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL11733114 0.87 MAOB (0.96) MAOBADORA3ARCYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108113984-A Purposes of the SHP2 inhibitor in anti-tumor drug is prepared 中国科学院成都生物研究所 2018-06-05 CN claimed
CN-108113984-A Purposes of the SHP2 inhibitor in anti-tumor drug is prepared 中国科学院成都生物研究所 2018-06-05 CN disclosed
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-19 US disclosed
US-7851640-B2 Catalytic enantioselective synthesis of flavanones and chromanones NORTHWESTERN UNIVERSITY (US) 2010-12-14 US disclosed
US-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-15 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-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAOB 458/4885ADORA3 1130/4885AR 889/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAOB 458/4885ADORA3 1130/4885AR 889/4885

“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.