SCHEMBL4383939

SCHEMBL4383939

O=CCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GSTP1 P09211 2/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND1 P24385 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
ERN1 O75460 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PPARG P37231 1/20 0.39
ALOX5 P09917 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
SCHEMBL6203294 0.80 MAOB (0.51) MAOAMAOBL3MBTL1GSTP1CCNB2
SCHEMBL3959610 0.80 MAOB (0.51) MAOAMAOBGSTP1CCNB2CDK1
SCHEMBL4379037 0.80 MAOB (0.43) PIN1MAOAMAOBMEN1KMT2A
SCHEMBL4380021 0.80 CYP4F2 (0.52) PIN1MEN1KMT2AL3MBTL1GSTP1
SCHEMBL4389366 0.77 MEN1 (0.45) PIN1MAOBMEN1KMT2AL3MBTL1
SCHEMBL6943499 0.76 MEN1 (0.59) MAOAMAOBMEN1KMT2AL3MBTL1
SCHEMBL9050204 0.75 PIN1 (0.40) PIN1MEN1KMT2AL3MBTL1PTGER1
SCHEMBL28671704 0.75 MEN1 (0.48) PIN1MAOAMAOBMEN1KMT2A
SCHEMBL872421 0.75 HTR1A (0.61) MEN1KMT2AL3MBTL1CCNB2CDK1
SCHEMBL6887763 0.74 HDAC8 (0.53) MAOBMAPTABCB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P PIN1 1602/4885MAOA 4162/4885MAOB 3920/4885

“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.