SCHEMBL7445924

SCHEMBL7445924

COc1[c]cccc1-c1nccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 1/20 0.37
F12 P00748 1/20 0.37
PLAU P00749 1/20 0.37
NCF1 P14598 1/20 0.37
NOS3 P29474 1/20 0.37

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
SCHEMBL9126593 0.79 ALDH1A1 (0.39) CYP2A6RAB9AMAPTKDM4EKMT2A
SCHEMBL954159 0.77 ALDH1A1 (0.54) CYP2A6NPC1RAB9AMAPTKDM4E
SCHEMBL10475881 0.75 CYP2A6 (0.39) CYP2A6NPC1RAB9AKDM4EKMT2A
SCHEMBL7111051 0.74 MAPT (0.31) RAB9AMAPTKDM4EKMT2AALDH1A1
SCHEMBL28431110 0.73 SCN9A (0.48) CYP2A6NPC1RAB9AMAPTKDM4E
SCHEMBL14341090 0.72 CYP1A2 (0.47) CYP2A6RAB9AMAPTKDM4EKMT2A
SCHEMBL158912 0.72 BCHE (0.58) CYP2A6NPC1RAB9AMAPTKDM4E
SCHEMBL29986041 0.72 BCHE (0.58) CYP2A6NPC1RAB9AMAPTKDM4E
SCHEMBL16457236 0.72 MAPT (0.44) CYP2A6NPC1RAB9AMAPTKDM4E
SCHEMBL7453756 0.72 CLK4 (0.40) NPC1RAB9AKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US disclosed
CN-1316995-A Hydroxy 2-piperidinoate hydroxamic acid derivatives as MMP inhibitors PFIZER PROD INC (US) 2001-10-10 CN disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 CYP2A6 1957/4885NPC1 2604/4885RAB9A 1591/4885

“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.