SCHEMBL5000299

SCHEMBL5000299

[O]c1ccc(Cl)cc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.47
PIK3CA P42336 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 1/20 0.45
PTGS2 P35354 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL28269439 0.81 ALOX15 (0.51) PIK3R1PIK3CAALDH1A1HPGDKDM4E
SCHEMBL7575670 0.77 ALOX15 (0.69) PIK3R1PIK3CAALDH1A1HPGDKDM4E
SCHEMBL29007097 0.68 MAPT (0.53) PIK3R1PIK3CAALDH1A1HPGDKDM4E
SCHEMBL1478175 0.67 TAAR1 (0.61) PIK3R1PIK3CAALDH1A1HPGDKDM4E
SCHEMBL345743 0.67 POLB (0.34) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5007013 0.67 AHR (0.45) ALDH1A1KDM4ETSHRPTGS2MEN1
SCHEMBL29498760 0.67 KEAP1 (0.53) PIK3R1PIK3CAALDH1A1HPGDKDM4E
SCHEMBL1479815 0.67 KEAP1 (0.53) PIK3R1PIK3CAALDH1A1HPGDKDM4E
SCHEMBL5004328 0.67 PTPN1 (0.50) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL5007022 0.67 TDO2 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF PIK3R1 135/4885PIK3CA 8/4885ALDH1A1 4411/4885

“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.