SCHEMBL17963554

SCHEMBL17963554

CC(C)(C)OC(=O)c1ccc(CN2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
S1PR5 Q9H228 8/20 0.54
HRH3 Q9Y5N1 1/20 0.50
KDM1A O60341 1/20 0.48
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 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
SCHEMBL17963504 0.88 KDM4E (0.65) KDM4EKDM1A
SCHEMBL28175300 0.86 KDM4E (0.50) KDM4EHRH3KDM1ADRD2DRD4
SCHEMBL15033023 0.86 KDM4E (0.50) KDM4EHRH3KDM1ADRD2DRD4
SCHEMBL12814152 0.85 KDM1A (0.53) KDM4EHRH3KDM1ADRD2DRD4
SCHEMBL20843153 0.85 KDM1A (0.53) KDM4EKDM1ADRD2DRD4SIRT2
SCHEMBL20843229 0.84 KDM1A (0.52) KDM4EKDM1ADRD2DRD4SIRT2
SCHEMBL21088709 0.84 CXCR3 (0.53) KDM4EKDM1ADRD4SIRT2SIRT1
SCHEMBL17987974 0.84 KDM1A (0.52) KDM4EKDM1ADRD2DRD4
SCHEMBL12813914 0.84 KDM4E (0.48) KDM4EKDM1ADRD2DRD4SIRT2
SCHEMBL3689873 0.82 HRH3 (0.55) KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438593-B Therapeutic compounds and uses thereof 基因泰克公司 2020-10-30 CN disclosed
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
US-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 US 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 (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-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, HDAC1, DOT1L KDM4E 38/4885S1PR5 847/4885HRH3 589/4885
US-10301253-B2 Therapeutic compounds and uses thereof KDM1B, HDAC1, DOT1L KDM4E 38/4885S1PR5 847/4885HRH3 589/4885

“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.