SCHEMBL19010102

SCHEMBL19010102

CC(C)/C1=C(\C(C)C)OCCOCCO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTT P42858 1/20 0.36
TTR P02766 1/20 0.35
GAA P10253 1/20 0.30

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
SCHEMBL19010106 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL12147343 0.91
SCHEMBL12147346 0.79 PIK3CD (0.31)
SCHEMBL9912001 0.74
SCHEMBL12147347 0.71
SCHEMBL10020968 0.69
SCHEMBL18881107 0.67
SCHEMBL12342362 0.67
SCHEMBL9672256 0.65
SCHEMBL19020657 0.65 TTR (0.43) SMN1; SMN2LMNACRHBPCRHR2HTT

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-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. 2017-06-22 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-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4718/4885LMNA 4326/4885CRHBP 4446/4885
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4747/4885LMNA 4309/4885CRHBP 4452/4885

“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.