SCHEMBL18926162

SCHEMBL18926162

CCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCC(CCCCCCCCCC)CCCCCCCCCC)c3cc(C)ccc32)c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 9/20 0.34
▸ CES1 P23141 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL16472633 0.99 CDC25A (0.34) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL16472631 0.99 CES1 (0.32) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL16472635 0.95 ALDH1A1 (0.31) CDC25ACES1ALDH1A1PDE5AMAPT
SCHEMBL17175259 0.91 — —
SCHEMBL16472634 0.91 TP53 (0.30) MAPTTP53
SCHEMBL25451128 0.86 ALDH1A1 (0.33) CDC25ACES1ALDH1A1MAPTHPGD
SCHEMBL19758030 0.86 MAPT (0.35) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL13058848 0.85 KDM4E (0.37) ALDH1A1HPGDKMT2A
SCHEMBL25451161 0.85 ALDH1A1 (0.33) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL19472359 0.83 CES1 (0.30) CDC25ACES1

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-20170158620-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE BOE TECHNOLOGY GROUP CO LTD (CN) 2017-06-08 — — 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-20170158620-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE PCNA, EPCAM, DNMT1 CDC25A 226/4885CES1 1553/4885ALDH1A1 1486/4885

“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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