SCHEMBL5410180

SCHEMBL5410180

CC(C)(C)c1cc(Br)c2c(c1)Oc1cc(C(C)(C)C)cc(Br)c1C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL27658221 0.85 ALDH1A1 (0.34) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5411014 0.77 ALDH1A1 (0.41) CYP1A2CYP2C19HSD17B10ALDH1A1HPGD
SCHEMBL6900212 0.71 HIF1A (0.39) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1319760 0.67 HIF1A (0.33) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22225306 0.67 APEX1 (0.45) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4151318 0.65 HIF1A (0.42) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14410282 0.65 POLB (0.44) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13945808 0.65 HIF1A (0.42) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27706470 0.65 ALDH1A1 (0.35) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12119279 0.63 CYP1A2 (0.33) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19

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-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
EP-1383777-B1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AG (DE) 2005-11-16 EP disclosed
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
EP-1383777-A1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2004-01-28 EP disclosed
WO-2002083695-A1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 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-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation OGG1, HPD, HPGD AHR 153/4885HIF1A 3793/4885CYP1A2 734/4885

“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.