SCHEMBL18652137

SCHEMBL18652137

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.54
HSD17B2 P37059 7/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP1 P09874 1/20 0.44
EGLN2 Q96KS0 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
FASN P49327 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL18650124 0.84 HPGD (0.57) HSD17B1HSD17B2MEN1KMT2APARP1
SCHEMBL17119847 0.81 HSD17B1 (0.57) HSD17B1HSD17B2MEN1KMT2ACA12
SCHEMBL14211896 0.81 KMT2A (0.53) HSD17B1HSD17B2MEN1KMT2AALDH1A1
SCHEMBL18650131 0.81 KMT2A (0.50) MEN1KMT2AALDH1A1
SCHEMBL18652133 0.80 ESRRG (0.55) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL18650133 0.79 CES2 (0.49) MEN1KMT2AKDM4EALDH1A1
SCHEMBL18652138 0.79 SIRT1 (0.46) MEN1KMT2ACA12CA1CA2
SCHEMBL28897045 0.79 HSD17B1 (0.55) HSD17B1HSD17B2MEN1KMT2ACA12
SCHEMBL12377306 0.79 ESRRG (0.45) MEN1KMT2AALDH1A1PDK2PDK4
SCHEMBL9416596 0.77 HSD17B2 (0.83) HSD17B1HSD17B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
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

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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 HSD17B1 4672/4885HSD17B2 4335/4885MEN1 1363/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS HSD17B1 4858/4885HSD17B2 4847/4885MEN1 3390/4885

“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.