SCHEMBL4064595

SCHEMBL4064595

CC(=O)c1cc[c]c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA5A P35218 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKCI P41743 1/20 0.36
HPGD P15428 1/20 0.36
S100A4 P26447 1/20 0.36

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
SCHEMBL753676 0.83 ALDH1A1 (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL195987 0.81 PARP1 (0.48) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6152607 0.78 MAPT (0.39) CYP2A6NPC1RAB9AMAPTMEN1
SCHEMBL1636144 0.78 ATM (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1100872 0.78 CA1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL745428 0.78 ALDH1A1 (0.41) NPC1ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL2635549 0.78 HDAC6 (0.52)
SCHEMBL743658 0.78 HDAC8 (0.47) SMN1; SMN2HPGD
SCHEMBL561510 0.77 NPC1 (0.38) CYP2A6NPC1RAB9AMAPTMEN1
SCHEMBL6975368 0.77 TDP1 (0.41) CYP2A6NPC1RAB9AMAPTMEN1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107235995-A A kind of chiral two silane compound and its synthetic method and application 浙江大学 2017-10-10 CN claimed
US-7132420-B2 Aspartic protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US claimed
US-20050090546-A1 Aspartic protease inhibitors GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-28 US claimed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 US claimed
EP-1140846-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-10 EP claimed
WO-2000040558-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-07-13 WO claimed
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2022-11-17 US disclosed
US-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2020-07-23 US disclosed
EP-3672950-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 Pragma Therapeutics (FR) 2020-07-01 EP disclosed
WO-2019063596-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2019-04-04 WO disclosed
EP-3459939-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 Pragma Therapeutics (FR) 2019-03-27 EP disclosed
CN-107235995-A A kind of chiral two silane compound and its synthetic method and application 浙江大学 2017-10-10 CN disclosed
CN-101027290-B 2, 3-phthalazinone derivatives as AURORA-a kinase inhibitors HOFFMANN LA ROCHE 2010-05-12 CN disclosed
EP-0678505-B1 Oximethers and fungicides containing them BASF AG (DE) 1997-06-04 EP disclosed
EP-0498188-B1 Oximethers and fungicides containing them BASF AG (DE) 1996-03-27 EP disclosed
EP-0679636-A1 Oximethers and fungicides containing them BASF Aktiengesellschaft (DE) 1995-11-02 EP disclosed
EP-0678505-A1 Oximethers and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1995-10-25 EP disclosed
US-5446067-A For treatment of crops, seeds, soils BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0498188-A2 Oximethers and fungicides containing them BASF Aktiengesellschaft (DE) 1992-08-12 EP disclosed
US-4366236-A HYDROQUINONE DERIVATIVE LAYER AND A WATER INSOLUBLE POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1982-12-28 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 (3 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-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM3 CYP2A6 3700/4885NPC1 1478/4885RAB9A 1171/4885
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 CYP2A6 3348/4885NPC1 958/4885RAB9A 1312/4885
US-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP CYP2A6 2361/4885NPC1 1395/4885RAB9A 3142/4885

“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.