SCHEMBL19700415

SCHEMBL19700415

CCc1cc(CC)n(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ESR1 P03372 1/20 0.33
MPO P05164 1/20 0.32

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
SCHEMBL2454733 0.85 CA12 (0.35) CA12CA1CA2CA9ESR1
SCHEMBL9974272 0.79 MPO (0.32) MPO
SCHEMBL12871797 0.79 POLB (0.33) MPO
SCHEMBL2765997 0.79 CA12 (0.32) CA12CA1CA2CA9ESR1
SCHEMBL23398763 0.78 RET (0.31) MPO
SCHEMBL23403572 0.78 RET (0.31) MPO
Butadiene SCHEMBL2766022 0.76 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL14401138 0.73 MAP3K12 (0.35)
SCHEMBL12871859 0.73 PTGS1 (0.34) ESR1MPO
SCHEMBL18724843 0.72 HCAR2 (0.39)

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-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2018133730-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREFOR 四川科伦博泰生物医药股份有限公司 2018-07-26 WO disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CA12 4300/4885CA1 3713/4885CA2 690/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CA12 762/4885CA1 2205/4885CA2 1235/4885

“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.