SCHEMBL26202098

SCHEMBL26202098

Cc1cc(C)cc(COCC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.43
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL8516125 0.81 TACR1 (0.52) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL24590308 0.78 AGXT (0.50)
SCHEMBL6744769 0.77 IDO1 (0.48) TACR1
SCHEMBL2095325 0.75 TACR1 (0.47) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23613252 0.74 ESR1 (0.56) TACR1
SCHEMBL4731225 0.74 TACR1 (0.34) TACR1
SCHEMBL6000966 0.73 TACR1 (0.46) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL22007190 0.73 TACR1 (0.46) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL22021921 0.73 TACR1 (0.38) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL13888667 0.73 TACR1 (0.46) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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-20230329106-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-11751473-B2 Organic light emitting element LG CHEM, LTD. (KR) 2023-09-05 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-20230329106-A1 ORGANIC LIGHT EMITTING ELEMENT PPA1, PPOX, APRT TACR1 2774/4885CACNA1F 921/4885CACNA1D 1932/4885
US-11751473-B2 Organic light emitting element PPA1, PPOX, NR2E3 TACR1 2911/4885CACNA1F 844/4885CACNA1D 1696/4885

“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.