SCHEMBL13622154

SCHEMBL13622154

O=C(Cl)c1cc(CBr)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
MEP1B Q16820 1/20 0.36
MDM2 Q00987 2/20 0.36
PIK3CA P42336 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CXCR3 P49682 1/20 0.33
PARP1 P09874 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16066498 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15CYP4F2CYP4A11CES2
SCHEMBL30851337 0.83 MRGPRX4 (0.50) ALDH1A1CYP4F2CYP4A11MRGPRX4CES2
SCHEMBL13622151 0.83 MRGPRX4 (0.50) ALDH1A1CYP4F2CYP4A11MRGPRX4CES2
SCHEMBL26162686 0.81 CYP4F2 (0.44) CYP4F2CYP4A11MRGPRX4CES2CES1
SCHEMBL11133853 0.78 CYP4F2 (0.51) ALOX15CYP4F2CYP4A11CES2CES1
SCHEMBL2060890 0.77 ALDH1A1 (0.49) ALDH1A1ALOX15CYP4F2CYP4A11PARP1
SCHEMBL30842613 0.77 ALDH1A1 (0.49) ALDH1A1ALOX15CYP4F2CYP4A11PARP1
SCHEMBL9753535 0.76 CES2 (0.50) ALDH1A1CES2CES1CYP1A2CYP2C9
Carbon Tetrachloride SCHEMBL29910922 0.76 CYP4F2 (0.47) ALDH1A1ALOX15CYP4F2CYP4A11MRGPRX4
SCHEMBL1595355 0.76 CYP4F2 (0.49) ALDH1A1CYP4F2CYP4A11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 ALDH1A1 2078/4885ALOX15 1871/4885CYP4F2 2154/4885

“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.