SCHEMBL7704655

SCHEMBL7704655

CC1Cc2ccc(C(C)(C)C)cc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.62
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
PLA2G1B P04054 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CYP19A1 P11511 1/20 0.40
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC4 P56524 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
SCHEMBL29979893 1.00 ACHE (0.62) ACHEALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL28878592 0.86 ACHE (0.53) ACHEALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL21132327 0.85 ACHE (0.63) ACHECA1CA2
SCHEMBL6204038 0.81 ALDH1A1 (0.42) ACHEALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL29893908 0.77 ACHE (1.00) ACHE
SCHEMBL2481939 0.77 ACHE (1.00) ACHE
SCHEMBL2424388 0.75 BRD4 (0.39) ACHEALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL8874748 0.75 METAP1 (0.45) ACHEALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL8601608 0.75 METAP1 (0.45) ACHEALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL6935266 0.75 ACHE (0.66) ACHECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563438-B Organic compounds 奇华顿股份有限公司 2022-11-04 CN claimed
EP-3497192-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-12-22 EP claimed
US-11020333-B2 Organic compounds GIVAUDAN S.A. (CH) 2021-06-01 US claimed
US-20200330346-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-10-22 US claimed
CN-109563438-B Organic compounds 奇华顿股份有限公司 2022-11-04 CN disclosed
EP-3497192-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-12-22 EP disclosed
US-11020333-B2 Organic compounds GIVAUDAN S.A. (CH) 2021-06-01 US disclosed
US-20200330346-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-10-22 US disclosed
EP-3497192-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2019-06-19 EP disclosed
CN-109563438-A Organic compounds 奇华顿股份有限公司 2019-04-02 CN disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-RE37573-E1 Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands BASELL POLYOLEFIN GMBH (DE) 2002-03-05 US disclosed
US-5869584-A Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands TARGOR GMBH (DE) 1999-02-09 US disclosed
EP-0582194-B1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands TARGOR GMBH (DE) 1998-05-06 EP disclosed
US-5455365-A Metallocene compound containing substituted indenyl ligand and transition metal element from groups IVb, Vb, or VIb; addition polymerization with aluminoxane cocatalyst HOECHST AG (DE) 1995-10-03 US disclosed
EP-0582194-A1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-09 EP 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-20200330346-A1 ORGANIC COMPOUNDS C5, C1S, CBR3 ACHE 920/4885ALDH1A1 242/4885NPC1 1422/4885
US-11020333-B2 Organic compounds C5, CBR3, C1S ACHE 928/4885ALDH1A1 229/4885NPC1 1425/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT ACHE 4121/4885ALDH1A1 3159/4885NPC1 3284/4885

“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.