SCHEMBL4933565

SCHEMBL4933565

CCCOc1ccc(/C=C/C(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.65
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1B1 Q16678 1/20 0.59
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50

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
SCHEMBL4933573 1.00 ABCG2 (0.65) ABCG2NPC1RAB9ACYP1A1CYP1B1
SCHEMBL4939430 0.93 ABCG2 (0.65) ABCG2NPC1RAB9ACYP1A1CYP1B1
SCHEMBL4933533 0.93 ABCG2 (0.65) ABCG2NPC1RAB9ACYP1A1CYP1B1
SCHEMBL13424781 0.90 ABCG2 (0.62) ABCG2TP53SAE1UBA2
SCHEMBL10852243 0.89 ABCG2 (0.60) ABCG2TP53SAE1UBA2
SCHEMBL10852248 0.89 ABCG2 (0.60) ABCG2TP53SAE1UBA2
SCHEMBL417823 0.87 ABCG2 (0.65) ABCG2NPC1RAB9ACYP1A1CYP1B1
SCHEMBL417824 0.87 ABCG2 (0.65) ABCG2NPC1RAB9ACYP1A1CYP1B1
SCHEMBL13021662 0.87 ABCG2 (0.50) ABCG2NPC1RAB9AKMT2AMAPT
SCHEMBL874615 0.86 MAPT (0.66) ABCG2NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139366-A1 BRARTEMICIN ANALOGUES VICTORIA LINK LIMITED (NZ) 2023-05-04 US disclosed
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 (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-20230139366-A1 BRARTEMICIN ANALOGUES RXFP1, RXFP2, RXFP4 ABCG2 4866/4885NPC1 4100/4885RAB9A 1030/4885
US-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use AHR, KYNU, AADAC ABCG2 1271/4885NPC1 658/4885RAB9A 3588/4885

“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.