SCHEMBL21786479

SCHEMBL21786479

Cn1nc(C(F)(F)F)cc1-c1ccc(OCCc2ccc(Cl)cc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SCN9A Q15858 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL21786589 0.91 STIM1 (0.37) STIM1ORAI1RXRARXRBRXRG
SCHEMBL22791356 0.91 CYP11B1 (0.35) STIM1ORAI1CYP11B1CYP11B2CYP19A1
SCHEMBL21786605 0.90 PTGS2 (0.37) CYP11B1CYP11B2CYP19A1PTGS1PTGS2
SCHEMBL21786504 0.85 PTGDR2 (0.36) STIM1ORAI1SCN9APTGS1PTGS2
SCHEMBL23913086 0.85 ABCB1 (0.38) CYP11B1CYP11B2CYP19A1HTR2CSLC6A4
SCHEMBL21786534 0.85 PTGER1 (0.38) STIM1ORAI1RXRARXRBRXRG
SCHEMBL21786609 0.84 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1RXRARXRB
SCHEMBL21786416 0.84 SLC6A4 (0.41) STIM1ORAI1RXRARXRBRXRG
SCHEMBL21786530 0.83 MAPT (0.40) STIM1ORAI1RXRARXRBRXRG
SCHEMBL21786497 0.83 PTGER1 (0.39) STIM1ORAI1SCN9APTGS1PTGS2

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 4 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
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 STIM1 3524/4885ORAI1 4867/4885CYP11B1 3260/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885CYP11B1 3260/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885CYP11B1 3260/4885

“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.