SCHEMBL6258679

SCHEMBL6258679

CCOC(=O)c1ccc(CCCc2ccccc2Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
EPHX2 P34913 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.46
MEN1 O00255 3/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL25340300 0.84 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKMT2ARAB9APOLB
SCHEMBL6261303 0.84 LMNA (0.53) SMN1; SMN2MAPTKMT2ARAB9ACA12
SCHEMBL6263046 0.80 PTGER1 (0.59) MAPTKMT2AMEN1ALDH1A1PTGER1
SCHEMBL6258642 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKMT2ARAB9APOLB
SCHEMBL6394479 0.78 CA12 (0.56) SMN1; SMN2KMT2ARAB9APOLBCA12
SCHEMBL3056656 0.78 CA12 (0.56) SMN1; SMN2KMT2ARAB9APOLBCA12
SCHEMBL8172673 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2APOLBCYP4A11
SCHEMBL6257543 0.78 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKMT2ARAB9ACA1
SCHEMBL570747 0.78 ESR1 (0.59) SMN1; SMN2CA12CA1CA2ESR1
SCHEMBL12199135 0.77 CA1 (0.68) SMN1; SMN2MAPTKMT2ARAB9ACA12

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-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 EP disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 US disclosed
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 US disclosed
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 SMN1; SMN2 2519/4885MAPT 4871/4885KMT2A 4150/4885

“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.