SCHEMBL17962298

SCHEMBL17962298

COc1ccc(COc2ccc(I)c3ccc(=O)[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
ADRB2 P07550 4/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB1 P08588 2/20 0.38
P2RY12 Q9H244 1/20 0.38
ABCB1 P08183 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL97964 0.82 MMP1 (0.44) MMP1MMP9ADRB2NPC1RAB9A
SCHEMBL2798225 0.79 MMP1 (0.41) MMP1MMP9ADRB2NPC1RAB9A
SCHEMBL102846 0.79 HPGDS (0.43) MMP1MMP9ADRB2NPC1RAB9A
SCHEMBL2568099 0.79 MMP1 (0.41) MMP1MMP9ADRB2NPC1RAB9A
SCHEMBL99591 0.78 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL4907620 0.75 AR (0.35) APPMMP1MMP9ADRB2NPC1
SCHEMBL4725393 0.73 ADRB2 (0.40) ADRB2NPC1RAB9AMEN1CASP3
SCHEMBL31579759 0.72 PDE3B (0.47) APPMMP1MMP9ADRB2NPC1
SCHEMBL14438073 0.71 ADORA3 (0.46) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17962324 0.69 NPC1 (0.56) APPNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 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 (4 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA APP 1170/4885MMP1 2322/4885MMP9 461/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA APP 1170/4885MMP1 2322/4885MMP9 461/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA APP 1170/4885MMP1 2322/4885MMP9 461/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA APP 1170/4885MMP1 2322/4885MMP9 461/4885

“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.