SCHEMBL3593417

SCHEMBL3593417

O=C1CC2(CCC2)Oc2cc(C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ATM Q13315 4/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP2 O95551 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL30953777 1.00 KDM4E (0.50) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953576 0.97 KDM4E (0.54) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953605 0.96 KDM4E (0.55) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL11105631 0.96 KDM4E (0.55) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953642 0.96 KDM4E (0.55) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL3594528 0.89 RAF1 (0.46) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953713 0.89 KDM4E (0.42) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953611 0.89 RAF1 (0.46) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953736 0.88 KDM4E (0.43) KDM4EATMHTTALDH1A1HDAC3
SCHEMBL30953598 0.87 KDM4E (0.41) KDM4EATMHTTALDH1A1HDAC3

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 WO disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 KDM4E 2284/4885ATM 2670/4885HTT 3170/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 KDM4E 517/4885ATM 4486/4885HTT 1064/4885

“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.