SCHEMBL195014

SCHEMBL195014

Bc1c(CC(=O)NCCc2cccc(OC)c2OC)ccc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
GLS O94925 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL153172 0.86 TAAR1 (0.54) TAAR1ALDH1A1KDM4ECA12CA1
SCHEMBL7367698 0.82 ALDH1A1 (0.54) TAAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL151056 0.81 TAAR1 (0.55) TAAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6788690 0.81 POLB (0.68) TAAR1CA1CA2MEN1KMT2A
SCHEMBL18183555 0.81 CA12 (0.60) TAAR1CA12CA1CA2CA14
SCHEMBL6485062 0.80 CA12 (0.56) TAAR1ALDH1A1KDM4ECA12CA1
SCHEMBL128868 0.80 TAAR1 (0.50) TAAR1ALDH1A1KDM4ECA12CA1
SCHEMBL17150039 0.79 CA12 (0.61) TAAR1ALDH1A1KDM4ECA12CA1
SCHEMBL13727558 0.78 MTNR1A (0.44) TAAR1ALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL1009815 0.78 MTNR1A (0.75) CA12CA1CA2CA14MTNR1A

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-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TAAR1 4232/4885ALDH1A1 2930/4885KDM4E 2001/4885

“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.