SCHEMBL17616670

SCHEMBL17616670

Cc1c(C(C)(C)C)noc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
BRD4 O60885 2/20 0.39
BRD2 P25440 1/20 0.39
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
PTPN1 P18031 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL3751072 0.76 BRD4 (0.53) BRD4BRD2ALDH1A1SMN1; SMN2MAPT
SCHEMBL21105084 0.75 PTGS1 (0.55) MEN1KMT2ABRD4BRD2ALDH1A1
SCHEMBL8931496 0.74 BRD4 (0.47) MEN1KMT2ABRD4BRD2ALDH1A1
SCHEMBL31194853 0.74 MAPK13 (0.51) MEN1KMT2ABRD4BRD2ALDH1A1
SCHEMBL6581665 0.73 PTPN1 (0.44) MEN1KMT2ABRD4BRD2ALDH1A1
SCHEMBL17616759 0.72 LPL (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12000476 0.70 MAPK14 (0.42) MEN1KMT2ABRD4BRD2ALDH1A1
SCHEMBL4076415 0.69 PTPN1 (0.67) MEN1KMT2AALDH1A1MAPTPTPN1
SCHEMBL12000499 0.69 PTGS1 (0.43) MEN1KMT2ABRD4BRD2ALDH1A1
SCHEMBL12000498 0.69 ALDH1A1 (0.46) MEN1KMT2ABRD4BRD2ALDH1A1

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-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-19 US disclosed
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 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 (3 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 MEN1 1352/4885KMT2A 2810/4885BRD4 1691/4885
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 MEN1 1352/4885KMT2A 2810/4885BRD4 1691/4885
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 MEN1 1352/4885KMT2A 2810/4885BRD4 1691/4885

“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.