SCHEMBL18868913

SCHEMBL18868913

C/N=C(\C=C(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 2/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL20077791 0.85 DEGS1 (0.41) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL26306846 0.80 ALDH1A1 (0.46) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL18400550 0.80 GAA (0.39) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL20908860 0.76 MEN1 (0.32) LMNAMEN1KMT2AL3MBTL1MAPK1
SCHEMBL19831082 0.76 TDP1 (0.35) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL20470769 0.76 AKT1 (0.46) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL13716855 0.76 F2 (0.36) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL18868783 0.76 AKT1 (0.46) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL21574102 0.75 ALDH1A1 (0.30) ALDH1A1MAPTSMN1; SMN2
SCHEMBL22649497 0.75 CES2 (0.49) CES2CES1ALDH1A1LMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — 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 (3 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF CES2 2732/4885CES1 4860/4885ALDH1A1 1461/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 CES2 3138/4885CES1 4802/4885ALDH1A1 3771/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 CES2 3138/4885CES1 4802/4885ALDH1A1 3771/4885

“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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