SCHEMBL17790100

SCHEMBL17790100

C#C/C(=C/C=C/N1CCOCC1)C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.68
▸ ALDH1A1 P00352 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLA P06280 1/20 0.31

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
SCHEMBL12294071 0.86 RECQL (0.68) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL23140710 0.86 RECQL (0.68) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL23140711 0.86 RECQL (0.68) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL14095059 0.82 RECQL (1.00) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL20805869 0.79 RECQL (0.77) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL12294064 0.78 RECQL (0.74) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL14613034 0.73 RECQL (0.67) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL4544807 0.73 RECQL (0.50) RECQLALDH1A1GAAMAPTNPC1
SCHEMBL12310408 0.72 RECQL (0.49) RECQLALDH1A1MAPTNPC1RAB9A
SCHEMBL17527719 0.71 RECQL (0.52) RECQLALDH1A1GAAMAPTUSP2

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-20160151267-A1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS L'OREAL (FR) 2016-06-02 — — 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-20160151267-A1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS F2, F12, C1S RECQL 112/4885ALDH1A1 1323/4885GAA 4380/4885

“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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