SCHEMBL3222447

SCHEMBL3222447

NCCCC[C@@H](C(=O)O)N(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.52
FOLH1 Q04609 4/20 0.43
LTA4H P09960 1/20 0.42
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
CPB2 Q96IY4 2/20 0.41
ECE1 P42892 1/20 0.41
CPB1 P15086 1/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40

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
SCHEMBL22804052 0.95 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL1491987 0.95 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL3776750 0.95 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL9574165 0.91 EPOR (0.46) EPORFOLH1ITGB3ITGA2BTPSAB1
SCHEMBL10477497 0.91 EPOR (0.46) EPORFOLH1ITGB3ITGA2BTPSAB1
SCHEMBL4852056 0.91 EPOR (0.46) EPORFOLH1ITGB3ITGA2BTPSAB1
SCHEMBL5383813 0.87 EPOR (0.45) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL9197438 0.87 EPOR (0.45) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL4790017 0.87 EPOR (0.45) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL28836234 0.87 EPOR (0.50) EPORFOLH1LTA4HITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112029092-A Cinnamic aldehyde modified polyethylene glycol-polyamino acid block copolymer, preparation method thereof and hydrogel 中国科学院长春应用化学研究所 2020-12-04 CN claimed
CN-112029092-A Cinnamic aldehyde modified polyethylene glycol-polyamino acid block copolymer, preparation method thereof and hydrogel 中国科学院长春应用化学研究所 2020-12-04 CN disclosed
US-20100092416-A1 METHOD FOR THE COSMETIC TREATMENT OF KERATIN MATERIALS L'OREAL S.A. (FR) 2010-04-15 US disclosed
US-20100061953-A1 METHOD FOR THE COSMETIC TREATMENT OF KERATINIC MATERIALS AND COMPOSITION CONTAINING A GRAFTED AMINO ACID POLYMER L'OREAL S.A. (FR) 2010-03-11 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 (2 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-20100061953-A1 METHOD FOR THE COSMETIC TREATMENT OF KERATINIC MATERIALS AND COMPOSITION CONTAINING A GRAFTED AMINO ACID POLYMER KRT18, CUTA, AADAT EPOR 4383/4885FOLH1 243/4885LTA4H 1988/4885
US-20100092416-A1 METHOD FOR THE COSMETIC TREATMENT OF KERATIN MATERIALS KRT18, CUTA, OAT EPOR 3643/4885FOLH1 812/4885LTA4H 1677/4885

“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.