SCHEMBL23862469

SCHEMBL23862469

CC(C)(C)c1ccc2c(c1)CCC2CC(C)(C)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 4/20 0.34
▸ CYP26A1 O43174 2/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ TRPV1 Q8NER1 8/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ PPARD Q03181 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
SCHEMBL8014420 0.74 ESR1 (0.40) ESR1ESR2PPARAPPARGTRPV1
SCHEMBL8015012 0.73 PPARD (0.39) ESR1ESR2PPARAPPARGTRPV1
SCHEMBL8037397 0.72 PPARD (0.57) PPARAPPARGPPARD
SCHEMBL19806082 0.72 TRPV1 (0.35) ALDH1A1MAPK1PPARAPPARGTRPV1
SCHEMBL1855926 0.71 TRPV1 (0.37) MAPTALDH1A1HPGDTRPV1TRPV4
SCHEMBL1856329 0.71 TRPV1 (0.37) MAPTALDH1A1HPGDTRPV1TRPV4
SCHEMBL1866161 0.71 TRPV1 (0.37) MAPTALDH1A1HPGDTRPV1TRPV4
SCHEMBL5690949 0.71 TRPV1 (0.37) MAPTALDH1A1HPGDTRPV1TRPV4
SCHEMBL23119102 0.70 TRPV1 (0.38) ALDH1A1HPGDTRPV1TRPV4
SCHEMBL8008760 0.69 PPARD (0.46) PPARAPPARGTRPV1TRPV4PPARD

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-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 — — 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-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP HTR6 3122/4885NPC1 799/4885MAPT 1672/4885

“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.

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