SCHEMBL22791108

SCHEMBL22791108

Oc1c(-c2cc(C(F)(F)F)n[nH]2)ccc(OCCc2ccc(Cl)cc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP19A1 P11511 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GYS1 P13807 1/20 0.35
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2B P41595 2/20 0.34
RHEB Q15382 1/20 0.33
ALOX5AP P20292 1/20 0.33
MAPT P10636 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
TP53 P04637 1/20 0.32
ADORA2A P29274 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
PTPN1 P18031 3/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL21786480 0.90 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1HTR2CSLC6A4
SCHEMBL21786610 0.89 MAPT (0.38) CYP11B1CYP11B2CYP19A1PTGDR2MAPT
SCHEMBL21786538 0.84 IKBKB (0.34) PTGDR2PPARDPPARA
SCHEMBL21786481 0.84 PTPN1 (0.40) GYS1MAPTMRGPRX4PTPN1PTPN2
SCHEMBL21786471 0.84 PTGDR2 (0.39) PTGDR2MAPTPPARDPPARACNR1
SCHEMBL22790999 0.83 ABCB1 (0.37) CYP11B1CYP11B2CYP19A1HTR2CSLC6A4
SCHEMBL21786541 0.82 PTGDR2 (0.36) PTGDR2PPARD
SCHEMBL21786483 0.82 ESR1 (0.34)
SCHEMBL21786536 0.82 PTGER1 (0.41) PTGDR2GYS1SLC6A4ALOX5APMRGPRX4
SCHEMBL21786477 0.81 PTPN1 (0.39) CYP11B1CYP11B2CYP19A1MRGPRX4PTPN1

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-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
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 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 (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 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885

“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.