SCHEMBL19219784

SCHEMBL19219784

COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.75
ALDH1A1 P00352 7/20 0.75
HPGD P15428 4/20 0.75
PTGER4 P35408 2/20 0.74
KMT2A Q03164 7/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
MAPT P10636 6/20 0.71
MEN1 O00255 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
DHODH Q02127 2/20 0.69
LMNA P02545 3/20 0.69
POLB P06746 2/20 0.69
GAA P10253 2/20 0.67
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
HTT P42858 1/20 0.66

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
SCHEMBL28575804 0.93 KDM4E (0.74) KDM4EALDH1A1HPGDPTGER4KMT2A
SCHEMBL15506192 0.92 KDM4E (0.67) KDM4EALDH1A1HPGDPTGER4KMT2A
SCHEMBL28574876 0.84 MEN1 (0.75) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL28567496 0.83 CA9 (0.74) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL2283172 0.83 KDM4E (0.68) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL28914302 0.82 KDM4E (0.80) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL29788461 0.82 DHODH (0.81) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL42477 0.82 DHODH (0.81) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL12273377 0.81 DHODH (0.80) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL8614842 0.81 DHODH (0.72) KDM4EALDH1A1HPGDKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350217-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2019-07-16 US disclosed
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2017-08-10 US disclosed
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2017-08-10 US 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 (2 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-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 KDM4E 4235/4885ALDH1A1 1365/4885HPGD 2512/4885
US-10350217-B2 Antifungal agents and uses thereof DPM1, ERG28, SUCLG1 KDM4E 4235/4885ALDH1A1 1365/4885HPGD 2512/4885

“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.