SCHEMBL29509366

SCHEMBL29509366

c1ccc2c(c1)C1(CC1)CC21CCCC2(C1)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL23668773 1.00 NOTUM (0.33) NOTUMTSHRPOLB
SCHEMBL29656521 0.82 SIGMAR1 (0.41) TSHR
SCHEMBL23360888 0.82 SIGMAR1 (0.41) TSHR
SCHEMBL23645253 0.82
SCHEMBL28795655 0.81 PDK2 (0.33) NOTUMTSHR
SCHEMBL29732200 0.81 PDK2 (0.33) NOTUMTSHR
SCHEMBL28795625 0.75 HRH3 (0.37) NOTUMTSHRPOLB
SCHEMBL28795603 0.75 HRH3 (0.37) NOTUMTSHRPOLB
SCHEMBL28795590 0.75 HRH3 (0.37) NOTUMTSHRPOLB
SCHEMBL19279361 0.74 AKR1C1 (0.38) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 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 (1 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-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS NOTUM 4614/4885TSHR 3233/4885POLB 2644/4885

“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.