SCHEMBL15714403

SCHEMBL15714403

COc1cc(C(=O)O)c(-n2c(C)ccc2C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 15/20 1.00
▸ PTPN1 P18031 1/20 0.57
▸ NR4A1 P22736 4/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ TPMT P51580 1/20 0.47
▸ CA9 Q16790 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
SCHEMBL15714488 0.81 MYC (0.68) MYCPTPN1NR4A1ALDH1A1HPGD
SCHEMBL18499391 0.78 MYC (0.60) MYCPTPN1NR4A1TDP1KDM4E
SCHEMBL15714601 0.77 MYC (1.00) MYCNR4A1ALDH1A1MAPK1TDP1
SCHEMBL1417516 0.75 LCK (0.72) MYCALDH1A1HPGDMAPK1TDP1
SCHEMBL30415497 0.75 LCK (0.72) MYCALDH1A1HPGDMAPK1TDP1
SCHEMBL17172441 0.75 MYC (1.00) MYCPTPN1NR4A1ALDH1A1HPGD
SCHEMBL17177037 0.74 MYC (0.72) MYCPTPN1NR4A1ESR1ALOX15
SCHEMBL14844176 0.73 MYC (0.58) MYCALDH1A1HPGDMAPK1LCK
SCHEMBL15668643 0.73 MYC (0.74) MYCNR4A1ALDH1A1LMNA
SCHEMBL13779258 0.72 MYC (1.00) MYCPTPN1NR4A1TDP1CA12

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 1/4885PTPN1 1472/4885NR4A1 3212/4885

“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.

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