SCHEMBL15714686

SCHEMBL15714686

Cc1cc2c(n1-c1ccc(C(=O)O)cc1)CC(C)(C)CC2=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
ALDH1A1 P00352 5/20 0.67
TP53 P04637 1/20 0.63
HSP90AB1 P08238 4/20 0.57
HSP90AA1 P07900 3/20 0.57
THRB P10828 1/20 0.55
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.51
MYC P01106 1/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HIF1A Q16665 1/20 0.47

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
SCHEMBL1219767 0.89 KMT2A (0.69) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL15714687 0.86 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL15714672 0.83 TP53 (0.56) KMT2AMEN1ALDH1A1TP53THRB
SCHEMBL1220705 0.82 KMT2A (0.67) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL1219007 0.81 KMT2A (0.72) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL1220865 0.79 HSP90AA1 (0.71) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL1220595 0.79 KMT2A (0.62) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL13492272 0.78 KMT2A (0.67) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL14139175 0.78 KMT2A (0.67) KMT2AMEN1ALDH1A1TP53HSP90AB1
SCHEMBL13492182 0.78 KMT2A (0.67) KMT2AMEN1ALDH1A1TP53HSP90AB1

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 KMT2A 2096/4885MEN1 606/4885ALDH1A1 963/4885

“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.