SCHEMBL26312233

SCHEMBL26312233

CCN(C)CCOc1ccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 3/20 0.47
▸ TRPV1 Q8NER1 9/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ FLT1 P17948 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL23539561 0.91 CACNA1B (0.46) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL23553599 0.83 GSK3B (0.47) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL23540011 0.79 VCP (0.53) VCPTRPV1FLT1FLT4KDR
SCHEMBL23540017 0.77 VCP (0.53) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL26307279 0.77 FLT1 (0.52) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL23540651 0.74 VCP (0.69) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL23540014 0.74 VCP (0.69) VCPTRPV1FLT1FLT4KDR
SCHEMBL23553604 0.73 GSK3B (0.45) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL22925621 0.72 ALOX5 (0.51) VCPTRPV1GSK3BFLT1FLT4
SCHEMBL23554064 0.72 VCP (0.54) VCPTRPV1FLT1FLT4KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 — — 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 (2 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 VCP 2673/4885TRPV1 498/4885GSK3B 3183/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 VCP 2673/4885TRPV1 498/4885GSK3B 3183/4885

“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.

Send feedback