SCHEMBL15714398

SCHEMBL15714398

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 4/20 0.79
▸ NR4A1 P22736 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ NOTUM Q6P988 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ POLB P06746 3/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL15714569 0.89 MYC (0.71) MYCNR4A1ALDH1A1NOTUMPOLB
SCHEMBL17172422 0.89 MYC (1.00) MYCNR4A1ALDH1A1NOTUMALOX15
SCHEMBL15714570 0.81 NOTUM (0.74) MYCNR4A1ALDH1A1NOTUMPOLB
Phthalic Acid SCHEMBL29653616 0.73 ALDH1A1 (0.93) MYCNR4A1ALDH1A1ALOX15POLB
Phthalic Acid SCHEMBL28370747 0.72 ALDH1A1 (0.70) MYCNR4A1ALDH1A1ALOX15POLB
SCHEMBL13856248 0.72 MYC (1.00) MYCNR4A1ALDH1A1NOTUMALOX15
Phthalic Acid SCHEMBL8692449 0.71 ALDH1A1 (0.88) MYCNR4A1ALDH1A1ALOX15POLB
Phthalic Acid SCHEMBL10477086 0.71 ALDH1A1 (1.00) MYCNR4A1ALDH1A1ALOX15POLB
Phthalic Acid SCHEMBL1332278 0.71 ALDH1A1 (1.00) MYCNR4A1ALDH1A1ALOX15POLB
Phthalic Acid SCHEMBL146125 0.71 ALDH1A1 (1.00) MYCNR4A1ALDH1A1ALOX15POLB

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 5 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-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
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 3212/4885ALDH1A1 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.

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