SCHEMBL18280338

SCHEMBL18280338

COc1cc(CBr)c(C(=O)O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42

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
SCHEMBL16290680 0.85 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL25330070 0.83 PIM1 (0.44) SMN1; SMN2HSD17B10KDM4ECA12CA1
SCHEMBL18280466 0.83 CYP3A4 (0.47) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL349193 0.83 HSD17B10 (0.61) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL466144 0.82 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL347816 0.81 KDM4E (0.47) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL3971502 0.80 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL28225545 0.79 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL21710540 0.78 PTGES (0.64) CYP3A4THRB
SCHEMBL28597042 0.78 KDM4E (0.44) CYP3A4USP2MAPK1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303415-B1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC (CH) 2022-12-28 — — EP disclosed
US-10324311-B2 Visible-light photoinitiators and uses thereof NOVARTIS AG (CH) 2019-06-18 — — US disclosed
EP-3303415-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF Novartis AG (CH) 2018-04-11 — — EP disclosed
WO-2016193912-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 — — WO disclosed
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC. (CH) 2016-12-08 — — 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 (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-10324311-B2 Visible-light photoinitiators and uses thereof SIRT5, IK, IGLV6-57 CYP3A4 618/4885USP2 340/4885MAPK1 3444/4885
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF SIRT5, IK, IGLV6-57 CYP3A4 618/4885USP2 340/4885MAPK1 3444/4885

“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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