SCHEMBL23554064

SCHEMBL23554064

C[N+](C)(C)CCOc1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 4/20 0.54
▸ KDR P35968 8/20 0.45
▸ IMPDH2 P12268 1/20 0.44
▸ FLT1 P17948 7/20 0.43
▸ FLT4 P35916 7/20 0.43
▸ TRPV1 Q8NER1 7/20 0.43

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
SCHEMBL23553599 0.88 GSK3B (0.47) VCPKDRIMPDH2FLT1FLT4
SCHEMBL23540011 0.87 VCP (0.53) VCPKDRIMPDH2FLT1FLT4
SCHEMBL23539541 0.83 VCP (0.55) VCPKDRIMPDH2FLT1FLT4
SCHEMBL30042544 0.77 VCP (0.61) VCPKDRFLT1FLT4TRPV1
SCHEMBL23539613 0.77 VCP (0.61) VCPKDRFLT1FLT4TRPV1
SCHEMBL23539533 0.77 VCP (0.72) VCPKDRIMPDH2FLT1FLT4
SCHEMBL21303771 0.76 VCP (0.59) VCPKDRIMPDH2FLT1FLT4
SCHEMBL23539561 0.74 CACNA1B (0.46) VCPKDRFLT1FLT4TRPV1
SCHEMBL21303787 0.74 VCP (0.76) VCPKDRIMPDH2FLT1FLT4
SCHEMBL26307279 0.72 FLT1 (0.52) VCPKDRIMPDH2FLT1FLT4

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-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
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 — — 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 (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 2673/4885KDR 867/4885IMPDH2 2316/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 VCP 2673/4885KDR 867/4885IMPDH2 2316/4885

“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.

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