SCHEMBL4567003

SCHEMBL4567003

CCCc1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
ERN1 O75460 2/20 0.45
APP P05067 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 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
SCHEMBL4754158 0.84 L3MBTL1 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28119271 0.82 GAA (0.46) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28852579 0.82 KDM4E (0.55) FFAR4APPKMT2AMTNR1AMTNR1B
SCHEMBL3035265 0.81 MAPT (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4567002 0.81 MDM2 (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL465064 0.79 ALDH1A1 (0.40) CDK1ERN1L3MBTL1KMT2ANPC1
SCHEMBL3707114 0.79 L3MBTL1 (0.40) FFAR4CCNB2CDK1CDK4CCNB1
SCHEMBL13956364 0.79 ERN1 (0.52) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL865350 0.79 MAOA (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18155331 0.79 ERN1 (0.44) CCNB2CDK1CDK4CCNB1CCND1

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-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

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 FFAR4 4795/4885CCNB2 1093/4885CDK1 282/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 FFAR4 4759/4885CCNB2 998/4885CDK1 483/4885

“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.