SCHEMBL17963501

SCHEMBL17963501

COC(=O)c1ccc2c(c1)C1(CC2)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.47
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
OPRD1 P41143 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
PDK2 Q15119 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL17988200 0.92 KDM1A (0.44) KDM1ANFKB1NFKB2RELAALOX15
SCHEMBL17988166 0.90 KDM1A (0.55) KDM1ANFKB1NFKB2RELA
SCHEMBL17988049 0.89 KDM1A (0.57) KDM1ANFKB1NFKB2RELAOPRD1
SCHEMBL17988198 0.84 KDM1A (0.49) KDM1A
SCHEMBL17988194 0.84 KDM1A (0.49) KDM1AMAOAMAOB
SCHEMBL17988106 0.84 KDM1A (0.49) KDM1ANFKB1NFKB2RELA
SCHEMBL25069709 0.82 KDM1A (0.54) KDM1AMAOAMAOB
SCHEMBL25069745 0.82 KDM1A (0.54) KDM1AMAOAMAOB
SCHEMBL17988169 0.82 KDM1A (0.51) KDM1ANFKB1NFKB2RELA
SCHEMBL17988165 0.81 KDM1A (0.51) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301253-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-28 US disclosed
EP-3250552-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2019-03-27 EP disclosed
EP-3250552-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-12-06 EP disclosed
WO-2016123387-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 WO disclosed
WO-2016123387-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 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-10301253-B2 Therapeutic compounds and uses thereof KDM1B, HDAC1, DOT1L KDM1A 7/4885NFKB1 1654/4885NFKB2 1828/4885

“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.