SCHEMBL6260897

SCHEMBL6260897

CC(C)(C)OC(=O)c1ccc(CCc2cnccc2CCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PDK2 Q15119 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HDAC1 Q13547 1/20 0.38
TP53 P04637 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL14966328 0.84 HDAC1 (0.50) SLC7A5ALDH1A1LMNATDP1ABCG2
SCHEMBL6257548 0.82 KDM6B (0.46) ALDH1A1KMT2AHDAC1MEN1NPC1
SCHEMBL8697576 0.79 ESR1 (0.52) ALDH1A1KMT2ALMNATDP1KDM4E
SCHEMBL8321963 0.76 CA12 (0.39) ALDH1A1SIRT2SIRT1TP53
SCHEMBL8324645 0.76 ALDH1A1 (0.36) NAMPTALDH1A1KMT2ASIRT2SIRT1
SCHEMBL4212803 0.76 SIRT2 (0.43) SLC7A5ALDH1A1KMT2ATDP1SIRT2
SCHEMBL24434614 0.74 HTR1A (0.45) ALDH1A1TDP1TP53NPC1RAB9A
SCHEMBL8325953 0.74 PTGER1 (0.47) ALDH1A1LMNAHDAC1ESR1ESR2
SCHEMBL8697575 0.72 ALDH1A1 (0.56) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL8409338 0.72 PTGER1 (0.53) ABCG2HTR1ADRD2

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 NAMPT 3776/4885SLC7A5 2810/4885ALDH1A1 590/4885

“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.