SCHEMBL8879486

SCHEMBL8879486

CCOC(=O)c1ccc(CCC(C)(C)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
STS P08842 1/20 0.48
HTT P42858 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL7670282 0.91 LMNA (0.53) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL16664042 0.87 CA12 (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL10965456 0.84 LOXL2 (0.59) CYP1A2CYP3A4CA1CA2CA12
SCHEMBL20715467 0.84 LMNA (0.64) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL12199135 0.83 CA1 (0.68) LMNACYP1A2CYP3A4MAOACA1
Hydrochloric Acid SCHEMBL6364657 0.83 LOXL2 (0.57) CYP1A2CYP3A4CA1CA2CA12
SCHEMBL21058230 0.82 CYP4F2 (0.64) CA1CA2CA12CA7CA9
SCHEMBL13153523 0.81 CA12 (0.53) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL5734417 0.80 LMNA (0.68) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL571227 0.80 CA1 (0.63) LMNACYP1A2CYP3A4MAOACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-5672713-A Herbicidal and fungicidal substituted triazolinones BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
US-5516749-A Herbicidal and fungicidal substituted triazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP disclosed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed
EP-0505819-A1 Substituted triazolinones BAYER AG (DE) 1992-09-30 EP disclosed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 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 (2 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT LMNA 3235/4885CYP1A2 2448/4885CYP3A4 1925/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT LMNA 3249/4885CYP1A2 2410/4885CYP3A4 1810/4885

“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.