SCHEMBL3515495

SCHEMBL3515495

C=CC(=O)NCCc1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.65
MTNR1B P49286 3/20 0.65
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 5/20 0.59
BCHE P06276 1/20 0.57
APP P05067 2/20 0.56
ABCB1 P08183 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL11845550 0.87 SMN1; SMN2 (0.73) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30028243 0.86 MTNR1A (0.86) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL17821714 0.85 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1APPPKM
SCHEMBL17821711 0.85 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1APPPKM
SCHEMBL25773443 0.85 MTNR1A (0.69) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1
SCHEMBL11716101 0.84 MTNR1B (0.68) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1
SCHEMBL18736058 0.84 MTNR1A (0.72) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1
SCHEMBL27781943 0.83 MTNR1A (0.67) MTNR1AMTNR1BSMN1; SMN2ALDH1A1BCHE
SCHEMBL6376395 0.83 MTNR1A (0.71) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1
SCHEMBL12707505 0.82 SLC2A1 (0.58) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1

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-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2010-08-26 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-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES NFKBIA, HMOX1, PTGS1 MTNR1A 434/4885MTNR1B 104/4885MAPT 1303/4885

“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.