SCHEMBL5499753

SCHEMBL5499753

COCc1c(O)ccc(Br)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.36
SRC P12931 1/20 0.36
AXL P30530 1/20 0.36
PTK2 Q05397 1/20 0.36
AURKB Q96GD4 1/20 0.36
ALK Q9UM73 1/20 0.36
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PRKCE Q02156 2/20 0.32
MYLK Q15746 2/20 0.32
MEN1 O00255 1/20 0.32
PRKCG P05129 1/20 0.32

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
SCHEMBL23655366 0.86
SCHEMBL18069892 0.77 ADRA1A (0.33) HPGDHSD17B10
SCHEMBL7239032 0.74 ALDH1A1 (0.38) IGF1RSRCAXLPTK2AURKB
SCHEMBL16334848 0.72 ERN1 (0.32) KDM4EHTTALDH1A1MAOB
SCHEMBL391835 0.71 PRKCE (0.36) IGF1RSRCAXLPTK2AURKB
SCHEMBL16245142 0.71 KDM4E (0.44) IGF1RSRCAXLPTK2AURKB
SCHEMBL12663229 0.69 TPMT (0.39) CYP3A4HPGDKDM4EALOX12ALDH1A1
SCHEMBL388664 0.69 KDM4E (0.46) IGF1RSRCAXLPTK2AURKB
SCHEMBL1765685 0.69 TRPA1 (0.40) KDM4EALOX12HTTALDH1A1TDP1
SCHEMBL17442892 0.69 NQO2 (0.38) HPGDKDM4ENPC1RAB9AALDH1A1

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-1790644-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-30 EP disclosed
EP-1448544-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2007-05-16 EP disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-20040249167-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2004-12-09 US disclosed
EP-1448544-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
WO-2003044006-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 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-20040249167-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists GPER1, ESR1, ESR2 IGF1R 733/4885SRC 1100/4885AXL 1587/4885

“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.