SCHEMBL2030449

SCHEMBL2030449

O=C(C=Cc1ccc[nH]1)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
MAPK1 P28482 2/20 0.55
CYP2D6 P10635 5/20 0.50
CYP1A1 P04798 4/20 0.50
CYP1B1 Q16678 4/20 0.50
CYP1A2 P05177 4/20 0.50
LMNA P02545 4/20 0.50
AHR P35869 1/20 0.50
NPC1 O15118 5/20 0.49
HTT P42858 3/20 0.49
MAOB P27338 1/20 0.44
CXCL12 P48061 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2053680 0.83 MAPT (0.55) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6
SCHEMBL980643 0.79 HPGD (0.53) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL980642 0.79 HPGD (0.53) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL2033623 0.76 MAPT (0.54) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6
SCHEMBL10384632 0.75 MAPT (0.65) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6
SCHEMBL981600 0.75 MAPT (1.00) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6
SCHEMBL12948682 0.75 MAPT (1.00) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6
SCHEMBL2030450 0.74 CYP2D6 (0.70) MAPTRAB9ASMN1; SMN2CYP2D6CYP1A1
SCHEMBL29951439 0.73 MAPT (0.68) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6
SCHEMBL1079166 0.73 MAPT (0.68) MAPTRAB9ASMN1; SMN2MAPK1CYP2D6

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
US-9192589-B2 Chalcones as enhancer of antimicrobial agents COLGATE-PALMOLIVE COMPANY (US) 2015-11-24 US disclosed
EP-2512461-B1 CHALCONES AS ENHANCER OF ANTIMICROBIAL AGENTS COLGATE PALMOLIVE CO (US) 2013-10-23 EP disclosed
EP-2512461-A1 CHALCONES AS ENHANCER OF ANTIMICROBIAL AGENTS Colgate-Palmolive Company (US) 2012-10-24 EP disclosed
US-20120251464-A1 CHALCONES AS ENHANCER OF ANTIMICROBIAL AGENTS INDIAN INSTITUTE OF INTEGRATIVE MEDICINE (IN) 2012-10-04 US disclosed
WO-2011075136-A1 CHALCONES AS ENHANCER OF ANTIMICROBIAL AGENTS COLGATE-PALMOLIVE COMPANY (US) 2011-06-23 WO 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-20120251464-A1 CHALCONES AS ENHANCER OF ANTIMICROBIAL AGENTS LSS, CYP51A1, ELANE MAPT 3666/4885RAB9A 3941/4885SMN1; SMN2 4254/4885

“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.