SCHEMBL23046372

SCHEMBL23046372

CCC(C)c1nccc(C(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NOS3 P29474 3/20 0.32
▸ NOS2 P35228 3/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ HRH4 Q9H3N8 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
SCHEMBL9777733 0.83 NOS3 (0.35) NOS3NOS2NOS1HRH4
SCHEMBL29491137 0.83 NOS3 (0.35) NOS3NOS2NOS1HRH4
SCHEMBL18978721 0.81 USP2 (0.37) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL18978703 0.81 USP2 (0.37) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL20621321 0.80 NOS2 (0.48) USP2ALDH1A1GAAPKMHPGD
SCHEMBL25887311 0.76 HTR2A (0.36) NOS3NOS2NOS1
SCHEMBL20621434 0.76 L3MBTL1 (0.38) ALDH1A1GAANOS3NOS2NOS1
SCHEMBL24574394 0.76 USP2 (0.30) USP2ALDH1A1GAAPKMHPGD
SCHEMBL21883684 0.75 ALDH1A1 (0.41) ALDH1A1GAAHPGDHSD17B10HRH4
SCHEMBL19780267 0.75 ALDH1A1 (0.41) ALDH1A1GAAHPGDHSD17B10HRH4

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-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-02 — — 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-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, TYMP TSHR 1135/4885USP2 4580/4885ALDH1A1 1517/4885

“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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