SCHEMBL23880653

SCHEMBL23880653

OCCCC=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
BCL2L1 Q07817 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
ESR2 Q92731 3/20 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
SCHEMBL9030628 0.83 TBXAS1 (0.71) TBXAS1
SCHEMBL9030728 0.83 TBXAS1 (0.71) TBXAS1
SCHEMBL9030641 0.83 TBXAS1 (0.71) TBXAS1
SCHEMBL7810685 0.82 TBXAS1 (0.46) TBXAS1NPC1RAB9AHTR7HTR1A
SCHEMBL11994148 0.82 HTR7 (0.50) TBXAS1HTR7ESR2ESR1
SCHEMBL16685238 0.82 ESR1 (0.46) TBXAS1BCL2L1ESR2ESR1
SCHEMBL14288473 0.81 ESR1 (0.52) TBXAS1HTR7ESR2ESR1
SCHEMBL5089367 0.81 TBXAS1 (0.48) TBXAS1NPC1RAB9AHTR7HTR1A
SCHEMBL28304994 0.79 TBXAS1 (0.63) TBXAS1SIGMAR1
SCHEMBL5679037 0.78 TBXAS1 (0.67) TBXAS1NPC1RAB9A

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 TBXAS1 2469/4885NPC1 903/4885RAB9A 658/4885
US-20210309607-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TP53, ULK1, TFEB TBXAS1 2469/4885NPC1 903/4885RAB9A 658/4885
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TFEB, TP53, BECN1 TBXAS1 2069/4885NPC1 1346/4885RAB9A 1019/4885
US-20250154098-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TP53, ULK1, TFEB TBXAS1 2469/4885NPC1 903/4885RAB9A 658/4885

“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.