SCHEMBL84557

SCHEMBL84557

COc1cc(C(C)C)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
CYP3A4 P08684 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 3/20 0.48
HTT P42858 2/20 0.48
ALOX12 P18054 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
APP P05067 3/20 0.46
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
IDO1 P14902 1/20 0.44
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
EP300 Q09472 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11466249 0.88 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL22477433 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL1597428 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL12089851 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL6077093 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL8034561 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL11474443 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL84033 0.80 PPARG (0.53) ALDH1A1TDP1ALOX12HDAC4HDAC8
SCHEMBL5132140 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL24098182 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2022-03-03 US disclosed
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst L'OREAL (FR) 2019-04-09 US disclosed
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2016-05-12 US disclosed
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2016-05-12 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
WO-2014202787-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2014-12-24 WO disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
EP-0065720-B1 PROCESS FOR PREPARING HYDROXYPHENYL AMINE DERIVATIVES CASSELLA Aktiengesellschaft (DE) 1985-01-09 EP disclosed
EP-0065720-A1 Process for preparing hydroxyphenyl amine derivatives CASSELLA Aktiengesellschaft (DE) 1982-12-01 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 (7 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 526/4885CYP3A4 2206/4885TDP1 819/4885
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst KRT18, CYB5R3, CBR3 ALDH1A1 444/4885CYP3A4 545/4885TDP1 4356/4885
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ALDH1A1 4454/4885CYP3A4 3571/4885TDP1 474/4885
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST KRT18, CYB5R3, CBR3 ALDH1A1 441/4885CYP3A4 597/4885TDP1 4142/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS ALDH1A1 3257/4885CYP3A4 4401/4885TDP1 1071/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 526/4885CYP3A4 2206/4885TDP1 819/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 526/4885CYP3A4 2206/4885TDP1 819/4885

“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.