SCHEMBL19862610

SCHEMBL19862610

C=C(C)C(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.39
MAOB P27338 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
P2RX4 Q99571 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL11987081 0.96 MAOB (0.41) MMP12MAOBRAB9APOLBMMP2
SCHEMBL9915735 0.96 MAOB (0.41) MMP12MAOBRAB9APOLBMMP2
SCHEMBL15910228 0.95 MMP12 (0.43) MMP12MAOBRAB9ANPC1KDM4E
SCHEMBL20464179 0.94 ESR1 (0.39) MMP12MAOBRAB9APOLBMMP2
SCHEMBL18807382 0.92 MMP12 (0.43) MMP12MAOBRAB9ANPC1ALDH1A1
SCHEMBL2602527 0.90 ALDH1A1 (0.42) POLBNPC1GAASMN1; SMN2KDM4E
SCHEMBL23921430 0.89 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL2602485 0.89 ALDH1A1 (0.45) RAB9ANPC1GAAALDH1A1HPGD
SCHEMBL13777487 0.89 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1HPGDMAPK1
SCHEMBL172494 0.88 MAOB (0.42) MMP12MAOBRAB9APOLBMMP2

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-20180047915-A1 LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-02-15 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-20180047915-A1 LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE EML4, L1CAM, CRY1 MMP12 4789/4885MAOB 2246/4885RAB9A 3105/4885

“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.