SCHEMBL4133301

SCHEMBL4133301

COc1ccc2c(c1)CCCCC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.60
DRD2 P14416 8/20 0.60
DRD3 P35462 8/20 0.60
DRD5 P21918 8/20 0.60
DRD4 P21917 5/20 0.60
STS P08842 1/20 0.53
CHRNA7 P36544 1/20 0.53
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
KDM1A O60341 1/20 0.50
BCL2 P10415 1/20 0.50

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
SCHEMBL20231604 1.00 DRD1 (0.60) DRD1DRD2DRD3DRD5DRD4
SCHEMBL30888625 1.00 DRD1 (0.60) DRD1DRD2DRD3DRD5DRD4
SCHEMBL577378 0.98 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL30299229 0.98 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL1506557 0.93 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL31028084 0.93 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
Methylene Chloride SCHEMBL29094368 0.90 DRD1 (0.55) DRD1DRD2DRD3DRD5DRD4
SCHEMBL2607471 0.89 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
Propylamine SCHEMBL9435187 0.85 DRD2 (0.51) DRD1DRD2DRD3DRD5DRD4
Acrylonitrile SCHEMBL14856533 0.82 DRD1 (0.49) DRD1DRD2DRD3DRD5DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 US disclosed
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 US disclosed
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 US disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 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 (5 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-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L DRD1 2303/4885DRD2 3915/4885DRD3 3045/4885
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 DRD1 3575/4885DRD2 2154/4885DRD3 3129/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DRD1 2303/4885DRD2 3915/4885DRD3 3045/4885
US-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 DRD1 2141/4885DRD2 3639/4885DRD3 2996/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 DRD1 4052/4885DRD2 3552/4885DRD3 3459/4885

“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.