SCHEMBL17894480

SCHEMBL17894480

O=Cc1cccc(OCc2cc(Cl)cc(Cl)c2Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 5/20 0.36
CYP2C9 P11712 2/20 0.36
PTGER1 P34995 2/20 0.36
ORAI1 Q96D31 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL17894383 0.86 MAPT (0.43) CYP1A2FABP3FABP4FABP5HPGD
SCHEMBL17894446 0.86 FABP3 (0.54) CYP1A2FABP3FABP4FABP5ALDH1A1
SCHEMBL17894452 0.84 IDO1 (0.47) CYP1A2FABP4FABP5HPGDALDH1A1
SCHEMBL17894466 0.77 ENPP2 (0.56) CYP1A2HPGDALDH1A1TDP1KMT2A
SCHEMBL17894448 0.77 MAPT (0.55) CYP1A2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL17894396 0.76 NPC1 (0.51) HPGDALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL17894427 0.76 TLR2 (0.46) HPGDALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL28837460 0.75 HPGD (0.54) FABP4FABP5HPGDALDH1A1HTT
Hydrochloric Acid SCHEMBL19639409 0.75 HPGD (0.36) CYP1A2FABP3FABP4FABP5HPGD
SCHEMBL19639428 0.75 KMT2A (0.47) CYP1A2HPGDALDH1A1HTTSMN1; SMN2

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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB CYP1A2 727/4885FABP3 2319/4885FABP4 2401/4885

“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.