SCHEMBL4504372

SCHEMBL4504372

CC(C)(C)[Si](C)(C)OC(/C=C/I)Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.33
SLC6A2 P23975 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SRR Q9GZT4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL4504374 1.00 TAAR1 (0.33) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL6650896 1.00 TAAR1 (0.33) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL6650902 1.00 TAAR1 (0.33) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL4494121 0.86 PRSS1 (0.34) ALDH1A1CYP1A2MEN1KMT2AACE
SCHEMBL7552716 0.86 PRSS1 (0.34) ALDH1A1CYP1A2MEN1KMT2AACE
SCHEMBL7552725 0.86 PRSS1 (0.34) ALDH1A1CYP1A2MEN1KMT2AACE
SCHEMBL4494128 0.86 PRSS1 (0.34) ALDH1A1CYP1A2MEN1KMT2AACE
SCHEMBL10897006 0.85 LDHA (0.41) SLC6A4ALDH1A1CYP1A2
SCHEMBL970714 0.84 HTR2A (0.41) SIGMAR1CYP2A6CYP1A2ACE
SCHEMBL6375850 0.83 PTGER4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473704-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2009-01-06 US disclosed
US-7429615-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2008-09-30 US disclosed
EP-1385526-B1 3, 7 THIA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2007-04-18 EP disclosed
US-20060247215-A1 Cyclohexyl prostaglandin analogs as rp4-receptor agonists OLD DAVID W 2006-11-02 US disclosed
US-7015243-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2006-03-21 US disclosed
US-20060030606-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. 2006-02-09 US disclosed
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. 2005-03-03 US disclosed
EP-1385526-A2 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2004-02-04 EP disclosed
WO-2002089813-A2 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2002-11-14 WO disclosed
EP-0778269-B1 PROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2000-09-27 EP disclosed
US-5990346-A AN INHIBITORS OF CELL MIGRATION CAUSED BY CHEMOKINES TEIJIN LIMITED (JP) 1999-11-23 US disclosed
EP-0778269-A1 PROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1997-06-11 EP disclosed
EP-0100900-B1 NOVEL (3.2.0.) BICYCLOHEPTANONE OXIME ETHERS WITH VALUABLE THERAPEUTIC PROPERTIES SYNTEX (U.S.A.) INC. (US) 1986-02-05 EP disclosed
US-4552898-A CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-11-12 US disclosed
EP-0100900-A1 Novel (3.2.0.) bicycloheptanone oxime ethers with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1984-02-22 EP disclosed
US-4423068-A (3.2.0) Bicycloheptanone oxime ethers with therapeutic properties SYNTEX (U.S.A.) INC. (US) 1983-12-27 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 (3 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-20060247215-A1 Cyclohexyl prostaglandin analogs as rp4-receptor agonists PTGER4, PTGER1, PTGER3 TAAR1 454/4885SLC6A2 3696/4885MAOA 3053/4885
US-20060030606-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR TAAR1 461/4885SLC6A2 4288/4885MAOA 2802/4885
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR TAAR1 461/4885SLC6A2 4288/4885MAOA 2802/4885

“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.