SCHEMBL23880652

SCHEMBL23880652

OCCCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
BCL2 P10415 2/20 0.40
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.36
CHRM4 P08173 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM3 P20309 5/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 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
SCHEMBL7813623 0.82 CYP3A4 (0.43) CYP2D6CYP3A4CYP2C9CYP2C19BCL2
SCHEMBL5099673 0.81 CYP3A4 (0.42) CYP2D6CYP3A4CYP2C9CYP2C19BCL2
SCHEMBL11836940 0.80 CYP3A4 (0.44) CYP2D6CYP3A4CYP2C9CYP2C19BCL2
SCHEMBL6048472 0.79 SIGMAR1 (0.58) CYP2D6BCL2LMNASIGMAR1CHRM4
SCHEMBL1984793 0.78 BCL2 (0.41) CYP2D6BCL2LMNAHTTNPSR1
SCHEMBL2009309 0.78 BCL2 (0.62) BCL2KMT2AL3MBTL1LMNAHTT
SCHEMBL2006125 0.77 CHRM4 (0.56) CYP2D6BCL2LMNASIGMAR1CHRM4
SCHEMBL7470891 0.74 KCNN4 (0.38) CYP2D6CYP3A4CYP2C9CYP2C19USP2
SCHEMBL11868000 0.74 BCL2 (0.49) CYP2D6BCL2KMT2AL3MBTL1LMNA
SCHEMBL11025495 0.74 CYP3A4 (0.50) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A

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-12338204-B2 Substituted bisphenylalkylurea compounds and methods of treating breast cancer TEXAS TECH UNIVERSITY SYSTEM (US) 2025-06-24 US disclosed
US-20250154098-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER UNIV TEXAS TECH SYSTEM (US) 2025-05-15 US disclosed
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TEXAS TECH UNIVERSITY SYSTEM (US) 2023-11-30 US disclosed
US-20210309607-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TEXAS TECH UNIVERSITY SYSTEM (US) 2021-10-07 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 (4 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-12338204-B2 Substituted bisphenylalkylurea compounds and methods of treating breast cancer TP53, ULK1, TFEB CYP2D6 3406/4885CYP3A4 2955/4885CYP2C9 3773/4885
US-20210309607-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TP53, ULK1, TFEB CYP2D6 3406/4885CYP3A4 2955/4885CYP2C9 3773/4885
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TFEB, TP53, BECN1 CYP2D6 3700/4885CYP3A4 3103/4885CYP2C9 3992/4885
US-20250154098-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TP53, ULK1, TFEB CYP2D6 3406/4885CYP3A4 2955/4885CYP2C9 3773/4885

“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.