SCHEMBL3655101

SCHEMBL3655101

CC(C)(C)CNC(=O)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
EGLN2 Q96KS0 1/20 0.56
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
ESRRG P62508 1/20 0.47
FAAH O00519 1/20 0.47
P2RX1 P51575 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46

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
SCHEMBL24871620 0.90 KDM4E (0.59) KDM4EALDH1A1EGLN2KMT2AMEN1
SCHEMBL30079810 0.90 KDM4E (0.59) KDM4EALDH1A1EGLN2KMT2AMEN1
SCHEMBL21020967 0.83 HDAC8 (0.59) KMT2AMEN1RAB9ACA1CA2
SCHEMBL20206540 0.82 ACHE (0.55) ALDH1A1KMT2AMEN1RAB9AGAA
SCHEMBL18175984 0.82 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL29836705 0.82 L3MBTL1 (0.67) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL161026 0.81 KDM4E (0.65) KDM4EALDH1A1EGLN2KMT2AMEN1
SCHEMBL17032313 0.81 CNR2 (0.48) ALDH1A1KMT2AMEN1RAB9AGAA
SCHEMBL12852621 0.81 NAMPT (0.47) KMT2AMEN1RAB9AGAAHSD17B10
SCHEMBL19818456 0.81 KAT6A (0.50) ALDH1A1KMT2AMEN1RAB9AGAA

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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 KDM4E 1665/4885ALDH1A1 2926/4885EGLN2 3977/4885

“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.