SCHEMBL23318752

SCHEMBL23318752

CC(C)(C)c1ccc(-c2ccc3sc4cc(CC(C)(C)c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)ccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
APEX1 P27695 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GPR3 P46089 1/20 0.33
CYP19A1 P11511 1/20 0.32
METAP2 P50579 1/20 0.32
PMM2 O15305 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
SCHEMBL26192598 0.85 MAPT (0.41) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21084699 0.85 MAPT (0.41) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18121002 0.83 RAB9A (0.47) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19735272 0.83 GPR3 (0.47) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22939799 0.83 ALDH1A1 (0.41) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15851342 0.79 TNF (0.40) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15851343 0.79 TNF (0.40) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL25583672 0.79 ESR1 (0.34) TNFNOD1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19866411 0.77 APEX1 (0.37) SMN1; SMN2ALDH1A1MAPTHPGDRAB9A
SCHEMBL22216708 0.77 GPR3 (0.42) SMN1; SMN2ALDH1A1MAPTHPGDRAB9A

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-20210130313-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO. LTD. (CN) 2021-05-06 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-20210130313-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE EXOC1, NPM1, EXOC4 TNF 3899/4885NOD1 38/4885SMN1; SMN2 1377/4885

“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.