SCHEMBL17616693

SCHEMBL17616693

Cc1coc(=O)c2cc(C#Cc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.49
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
ALDH2 P05091 1/20 0.40
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HNF4A P41235 1/20 0.36
APP P05067 1/20 0.36
GRM4 Q14833 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 1/20 0.35
ADRB2 P07550 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
SCHEMBL292529 0.74 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2
SCHEMBL19685799 0.73 ALDH1A1 (0.35) MEN1KMT2AL3MBTL1APPTLR9
SCHEMBL19686062 0.70 MEN1 (0.35) MEN1KMT2AHTT
SCHEMBL20759624 0.67 APP (0.55) GRM5RAB9ANPC1MEN1KMT2A
SCHEMBL19686110 0.67 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1APPTLR9
SCHEMBL8189353 0.66 ALDH1A1 (0.49) MEN1KMT2A
SCHEMBL29787236 0.65 APP (0.52) GRM5IP6K1IP6K3IP6K2L3MBTL1
SCHEMBL2620733 0.65 GRM5 (0.54) GRM5IP6K1IP6K3IP6K2RAB9A
SCHEMBL15071003 0.64 APP (0.50) GRM5IP6K1IP6K3IP6K2RAB9A
SCHEMBL10300103 0.64 GRM5 (0.57) GRM5ALDH2RAB9ANPC1MEN1

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 GRM5 3038/4885IP6K1 2679/4885IP6K3 1435/4885
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 GRM5 3038/4885IP6K1 2679/4885IP6K3 1435/4885
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 GRM5 3038/4885IP6K1 2679/4885IP6K3 1435/4885

“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.