SCHEMBL21786544

SCHEMBL21786544

CC(C)CCOc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GYS1 P13807 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
NOTUM Q6P988 6/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
FAAH O00519 1/20 0.35
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL21786628 0.83 SLC6A4 (0.40) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL21786545 0.81 HPGD (0.37) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL22791180 0.80 COMT (0.36) AAK1NOTUMMGAMGAASI
SCHEMBL21786632 0.80 GYS1 (0.37) TP53ALOX15MAPK1HSD17B10GYS1
SCHEMBL21786469 0.76 SLC6A4 (0.40) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL21786417 0.76 ALOX5AP (0.37) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL21786431 0.74 NOTUM (0.40) GYS1NOTUMCYP1A2
SCHEMBL21786437 0.73 NOTUM (0.38) GYS1NOTUMCYP1A2
SCHEMBL21786499 0.72 NOTUM (0.40) GYS1NOTUMCYP1A2
SCHEMBL21786408 0.72 HPGD (0.45) HPGDTP53ALOX15MAPK1HSD17B10

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
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 HPGD 2582/4885TP53 5/4885ALOX15 4648/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 HPGD 2582/4885TP53 5/4885ALOX15 4648/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 HPGD 2582/4885TP53 5/4885ALOX15 4648/4885

“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.