SCHEMBL15714488

SCHEMBL15714488

COc1cc(-n2c(C)ccc2C)c(Cl)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 11/20 0.68
▸ ALDH1A1 P00352 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NR4A1 P22736 4/20 0.54
▸ CTSB P07858 1/20 0.50
▸ PTPN1 P18031 1/20 0.48
▸ NOTUM Q6P988 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL15714403 0.81 MYC (1.00) MYCALDH1A1TDP1HPGDMAPK1
SCHEMBL24939836 0.78 MYC (0.44) MYCALDH1A1TDP1HPGDMAPK1
SCHEMBL3387534 0.77 ALDH1A1 (0.56) ALDH1A1TDP1HPGDKDM4EMRGPRX4
SCHEMBL24939825 0.77 ALDH1A1 (0.59) MYCALDH1A1TDP1HPGDMAPK1
SCHEMBL2366676 0.76 KDM4E (0.51) ALDH1A1TDP1HPGDKDM4EMRGPRX4
SCHEMBL7802404 0.76 ALDH1A1 (0.51) MYCALDH1A1TDP1HPGDMAPK1
SCHEMBL11310945 0.76 LCK (0.58) MYCALDH1A1HPGDKDM4EMRGPRX4
SCHEMBL3617721 0.76 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMRGPRX4MEN1
SCHEMBL24939838 0.74 MYC (0.41) MYCALDH1A1TDP1HPGDMAPK1
SCHEMBL12316373 0.73 HTT (0.49) ALDH1A1HPGDMAPK1KDM4ENPC1

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 1/4885ALDH1A1 963/4885TDP1 1594/4885

“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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