SCHEMBL21786474

SCHEMBL21786474

Oc1c(-c2cc(C(F)(F)F)n[nH]2)ccc(OCCN2CCCC2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.38
HTR2C P28335 5/20 0.38
LTA4H P09960 2/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SYK P43405 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL21786538 0.84 IKBKB (0.34)
SCHEMBL21786471 0.84 PTGDR2 (0.39) ESR1
SCHEMBL21786541 0.82 PTGDR2 (0.36) ESR1
SCHEMBL21786483 0.82 ESR1 (0.34) ESR1
SCHEMBL23913055 0.80 IKBKB (0.32)
SCHEMBL22791108 0.80 CYP11B1 (0.37) HTR2C
SCHEMBL21786610 0.78 MAPT (0.38) KDM4E
SCHEMBL21786481 0.78 PTPN1 (0.40) KDM4E
SCHEMBL21786480 0.78 CYP11B1 (0.37) HTR2C
SCHEMBL21786477 0.77 PTPN1 (0.39)

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 HTR2A 2931/4885HTR2C 1702/4885LTA4H 4729/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 HTR2A 2931/4885HTR2C 1702/4885LTA4H 4729/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 HTR2A 2931/4885HTR2C 1702/4885LTA4H 4729/4885

“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.