SCHEMBL4933533

SCHEMBL4933533

CCCCOc1ccc(C=CC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.65
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
AHR P35869 1/20 0.54
BCHE P06276 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ACHE P22303 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL4939430 1.00 ABCG2 (0.65) ABCG2SAE1UBA2AHRBCHE
SCHEMBL13424781 0.97 ABCG2 (0.62) ABCG2SAE1UBA2AHRBCHE
SCHEMBL10852248 0.95 ABCG2 (0.60) ABCG2SAE1UBA2BCHEACHE
SCHEMBL10852243 0.95 ABCG2 (0.60) ABCG2SAE1UBA2BCHEACHE
SCHEMBL4933573 0.93 ABCG2 (0.65) ABCG2SAE1UBA2NPC1RAB9A
SCHEMBL4933565 0.93 ABCG2 (0.65) ABCG2SAE1UBA2NPC1RAB9A
SCHEMBL13021662 0.87 ABCG2 (0.50) ABCG2NPC1RAB9A
SCHEMBL154581 0.87 ABCG2 (0.65) ABCG2SAE1UBA2AHRBCHE
SCHEMBL1206856 0.87 ABCG2 (0.65) ABCG2SAE1UBA2AHRBCHE
SCHEMBL874615 0.86 MAPT (0.66) ABCG2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1783115-B1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INST MATERIA MEDICA CAMS (CN) 2016-07-13 EP disclosed
US-8524744-B2 preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc. INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-09-03 US disclosed
US-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2008-09-11 US disclosed
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 CN disclosed
EP-1783115-A1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2007-05-09 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 (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-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use AHR, KYNU, AADAC ABCG2 1271/4885SAE1 4807/4885UBA2 4185/4885

“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.