SCHEMBL10069983

SCHEMBL10069983

COc1cccc(Cc2ccc(C(=O)c3ccccc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ACHE P22303 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MMP13 P45452 2/20 0.54
VNN1 O95497 1/20 0.53
LTA4H P09960 1/20 0.53
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
PGR P06401 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HRH1 P35367 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
SCHEMBL28414146 0.95 MTNR1B (0.59) NPC1MEN1KMT2AACHEMTNR1A
SCHEMBL7705956 0.86 LTA4H (0.72) NPC1MEN1KMT2AACHEVNN1
SCHEMBL31739258 0.84 LTA4H (0.67) MTNR1AMTNR1BLTA4H
SCHEMBL2092574 0.84 LTA4H (0.67) MTNR1AMTNR1BLTA4H
SCHEMBL8993024 0.84 MTNR1A (0.60) NPC1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL23098254 0.82 ATM (0.61) ACHELMNAALDH1A1SRD5A2
SCHEMBL9607150 0.82 MTNR1A (0.59) NPC1KMT2AMTNR1AMTNR1BMMP13
SCHEMBL755443 0.81 MEN1 (0.69) NPC1MEN1KMT2AMTNR1BVNN1
SCHEMBL30414806 0.81 MEN1 (0.69) NPC1MEN1KMT2AMTNR1BVNN1
SCHEMBL4004691 0.80 LMNA (0.67) NPC1MEN1KMT2ALMNAALDH1A1

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
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
WO-2012085168-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2012-06-28 WO 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-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME ODC1, AOC1, ADH1C NPC1 1747/4885MEN1 673/4885KMT2A 167/4885

“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.