SCHEMBL9890705

SCHEMBL9890705

COC(=O)C(O)c1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
RORB Q92753 3/20 0.47
RORC P51449 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN5 P54829 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.41
KIF11 P52732 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CTSA P10619 1/20 0.40

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
SCHEMBL9890809 0.83 RORB (0.50) AKR1C3AKR1C2RORBRORCPTPN5
SCHEMBL9890686 0.83 TUBB4A (0.44) CHRM3KDM4EMAOBCTSA
SCHEMBL9890703 0.82 DHODH (0.42) CTSA
SCHEMBL1901275 0.80 KMT2A (0.46) CYP2C19ALDH1A1NPSR1SMN1; SMN2
SCHEMBL23972641 0.80 CES2 (0.52) AKR1C3AKR1C2CYP1A2CYP2C19PTPN5
SCHEMBL9890688 0.80 HSP90AA1 (0.46) RORBRORCCHRM3SMN1; SMN2CTSA
SCHEMBL9890702 0.79 KDM4E (0.47) AKR1C3AKR1C2RORBKDM4E
SCHEMBL23044002 0.76 CES2 (0.61) CYP1A2CYP2C19ALDH1A1NPSR1CHRM3
SCHEMBL1436536 0.76 PTPN5 (0.55) AKR1C3AKR1C2RORBRORCCYP1A2
SCHEMBL23479730 0.76 PTPN5 (0.57) AKR1C3AKR1C2RORBRORCCYP1A2

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (2 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 AKR1C3 191/4885AKR1C2 459/4885RORB 2014/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 AKR1C3 191/4885AKR1C2 459/4885RORB 2014/4885

“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.