SCHEMBL14768424

SCHEMBL14768424

COc1ccc(CC(=O)OCc2ccccc2)cc1-c1cc(CC(=O)OCc2ccccc2)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PTGDR2 Q9Y5Y4 17/20 0.55
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX5 P09917 1/20 0.51
CYP2C9 P11712 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGIR P43119 1/20 0.51
PTGDR Q13258 1/20 0.51

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
SCHEMBL21076157 0.94 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1PTGDR2CYP3A4
SCHEMBL17124779 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1PTGDR2CYP3A4
SCHEMBL6281909 0.90 CYP1A2 (0.64) ALDH1A1MAPK1L3MBTL1CYP3A4CYP1A2
SCHEMBL14768422 0.89 HTT (0.52) ALDH1A1MAPK1L3MBTL1PTGDR2
SCHEMBL17124773 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1CYP2C9TBXA2R
SCHEMBL31530756 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1PTGDR2CYP3A4
SCHEMBL6366353 0.86 NPC1 (0.59) ALDH1A1MAPK1L3MBTL1CYP3A4CYP1A2
SCHEMBL6081043 0.84 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1CYP3A4CYP1A2
SCHEMBL17130188 0.84 L3MBTL1 (0.47) ALDH1A1MAPK1L3MBTL1PTGDR2CYP3A4
SCHEMBL5151754 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1CYP3A4CYP1A2

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
EP-2753599-B1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2019-06-05 EP disclosed
US-9499471-B2 Biphenyl compounds for use in treating malaria and other parasitic disorders MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2016-11-22 US disclosed
US-9499471-B2 Biphenyl compounds for use in treating malaria and other parasitic disorders MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2016-11-22 US disclosed
US-20150274637-A1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS GOTTFRIED WILHELM LEIBNIZ UNIVERSITAET HANNOVER (DE) 2015-10-01 US disclosed
US-20150274637-A1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS GOTTFRIED WILHELM LEIBNIZ UNIVERSITAET HANNOVER (DE) 2015-10-01 US disclosed
WO-2013034756-A1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2013-03-14 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-20150274637-A1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS CYP1B1, CYP1A2, CYP1A1 ALDH1A1 75/4885MAPK1 4676/4885L3MBTL1 1126/4885

“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.