SCHEMBL4567002

SCHEMBL4567002

CCCOc1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.50
HDAC8 Q9BY41 2/20 0.49
PTPN1 P18031 3/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ERN1 O75460 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL865350 0.89 MAOA (0.58) HDAC8PTPN1MAOAMAOBERN1
SCHEMBL3211263 0.88 HDAC8 (0.51) HDAC8PTPN1MAOAMAOBERN1
SCHEMBL3370062 0.86 MAOB (0.52) HDAC8PTPN1MAOAMAOBERN1
SCHEMBL5449064 0.85 MDM2 (0.52) MDM2HDAC8MAOBERN1MEN1
SCHEMBL1311076 0.85 HDAC8 (0.65) HDAC8MAOBERN1MAPTTDP1
SCHEMBL1963431 0.84 HDAC8 (0.52) HDAC8PTPN1MAOAMAOBERN1
SCHEMBL5119409 0.84 HDAC8 (0.61) HDAC8MEN1KMT2AMAPT
SCHEMBL5119417 0.84 HDAC8 (0.61) HDAC8MEN1KMT2AMAPT
SCHEMBL27883790 0.83 KMT2A (0.53) MDM2HDAC8MAOBERN1MEN1
SCHEMBL4070948 0.83 ERN1 (0.49) MDM2MAOBERN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 US disclosed
US-3976790-A Ionic dihydrochalcone sweeteners and food product containing the same DYNAPOL (US) 1976-08-24 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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, CDC37 MDM2 1333/4885HDAC8 194/4885PTPN1 701/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MDM2 466/4885HDAC8 101/4885PTPN1 1342/4885

“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.