SCHEMBL23133101

SCHEMBL23133101

CNc1ncncc1NCCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.38
▸ CYP3A4 P08684 6/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ HSD17B10 Q99714 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CCNB2 O95067 2/20 0.30
▸ CDK1 P06493 2/20 0.30
▸ CCNB1 P14635 2/20 0.30
▸ CCNB3 Q8WWL7 2/20 0.30
▸ KDM6B O15054 1/20 0.30
▸ KDM4C Q9H3R0 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
SCHEMBL23133117 0.88 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL23133119 0.75 AOC1 (0.42) KDM6BKDM4C
SCHEMBL23133038 0.75 AOC1 (0.42) KDM6BKDM4C
SCHEMBL23133240 0.75 HSP90AA1 (0.42) ALDH1A1HSD17B10TDP1TSHRKDM4E
SCHEMBL23133104 0.73 TSHR (0.34) CYP1A2TSHR
SCHEMBL21527439 0.73 CYP1A2 (0.37) CYP1A2ALDH1A1TSHR
SCHEMBL23133094 0.71 UTS2R (0.38) CYP1A2CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL23133072 0.71 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL23133248 0.69 TSHR (0.34) CYP1A2TSHR
SCHEMBL21267252 0.68 MAPT (0.39) CYP1A2ALDH1A1CYP2C19HSD17B10TDP1

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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2023-01-05 — — US disclosed
WO-2021055849-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2021-03-25 — — WO 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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PEBP1, PLTP CYP1A2 4879/4885CYP3A4 4867/4885CYP2D6 4823/4885

“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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