SCHEMBL15714477

SCHEMBL15714477

COC(=O)c1ccccc1-n1c(C)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 8/20 1.00
NR4A1 P22736 1/20 0.66
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.52
POLB P06746 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CFTR P13569 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL17172445 0.83 MYC (0.71) MYCNR4A1TSHRLMNAALDH1A1
SCHEMBL17177079 0.81 MYC (0.69) MYCNR4A1TSHRALDH1A1HSD17B10
SCHEMBL15714902 0.80 MYC (0.66) MYCNR4A1TSHRLMNAPOLB
SCHEMBL19011483 0.80 MYC (0.66) MYCNR4A1TSHRLMNAPOLB
SCHEMBL15434915 0.79 MYC (0.66) MYCTSHRLMNAPOLBALDH1A1
SCHEMBL13856248 0.79 MYC (1.00) MYCNR4A1ALDH1A1ALOX15
SCHEMBL20861882 0.79 MYC (0.66) MYCLMNAALDH1A1MAPTNPSR1
SCHEMBL11926706 0.79 MYC (0.66) MYCTSHRLMNAPOLBALDH1A1
SCHEMBL974486 0.79 MYC (0.67) MYCNR4A1LMNAALDH1A1KDM4E
SCHEMBL17172437 0.78 MYC (0.70) MYCNR4A1TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 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-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 MYC 1/4885NR4A1 3212/4885TSHR 4278/4885

“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.