SCHEMBL588278

SCHEMBL588278

Cc1ccc2c(C)cccc2c1.Cc1ccc2cccc(C)c2c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.84
CYP2A6 P11509 8/20 0.84
ALDH1A1 P00352 7/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 2/20 0.44
ACHE P22303 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
THRB P10828 1/20 0.36
MAOB P27338 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
SCHEMBL29453431 0.92 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL599599 0.92 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29580405 0.92 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29470563 0.92 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL597735 0.92 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6550685 0.90 CYP2A6 (0.88) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL27937838 0.90 CYP1A2 (0.95) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL27919256 0.90 CYP1A2 (0.95) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
O-Xylene SCHEMBL7549304 0.88 CYP1A2 (0.91) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
O-Xylene SCHEMBL7555306 0.88 CYP2A6 (0.91) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115029-B2 Oxidizing a substrate using a catalyst of a complex of cobalt and N-hydroxysuccinimide, N-hydroxyphthalimide, or N-hydroxymaleimide; alkanes, alkenes, cycloalkanes, cycloalkenes, aromatics, aryl aldehydes, aryl carboxylic acids, benzyl alcohols UNIVERSITY OF KANSAS (US) 2012-02-14 US disclosed
US-20080139841-A1 Cobalt-Catalyzed Oxidations in Volumetrically Expanded Liquids by Compressed Gases UNIVERSITY OF KANSAS (US) 2008-06-12 US disclosed
US-4477380-A Oxidation process of reactive aromatics with reactivation of the catalyst using potassium permanganate RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1984-10-16 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 (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-20080139841-A1 Cobalt-Catalyzed Oxidations in Volumetrically Expanded Liquids by Compressed Gases HAO2, HMOX2, HAAO CYP1A2 189/4885CYP2A6 164/4885ALDH1A1 1635/4885

“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.