SCHEMBL4373441

SCHEMBL4373441

COC(=O)COCC#CCO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
LMNA P02545 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
SCHEMBL5248290 0.96 TSHR (0.34) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL4379120 0.82 TSHR (0.36) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL11656664 0.82 TSHR (0.36) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL31325992 0.80 TSHR (0.44) TSHRKDM4EALDH1A1HSD17B10MGAM
Hydrochloric Acid SCHEMBL11658513 0.80 KDM4E (0.38) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL11307490 0.79 TSHR (0.37) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL25092225 0.79 CTSK (0.31) KDM4EALDH1A1CYP1A2
SCHEMBL11727365 0.79 TSHR (0.33) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL11730596 0.76 TSHR (0.34) TSHRKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL8892122 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631355-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2014-08-13 EP disclosed
EP-1817033-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN INC (US) 2009-11-18 EP disclosed
EP-1722795-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2008-05-07 EP disclosed
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
EP-1817033-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE Allergan, Inc. (US) 2007-08-15 EP disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
EP-1722795-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-11-22 EP disclosed
WO-2006058080-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-06-01 WO disclosed
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
US-6977260-B2 administering to an animal having ocular hypertension a piperidynly analog; a container adapted to dispense the ophthalmic solution in a metered form ALLERGAN, INC. (US) 2005-12-20 US disclosed
WO-2005072735-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2005-08-11 WO disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. 2005-07-28 US disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-20040248854-A1 Piperidinyl prostaglandin E analogs ALLERGAN, INC. 2004-12-09 US disclosed
US-4234720-A Prostaglandin derivatives ABBOTT LABORATORIES (US) 1980-11-18 US disclosed
US-4022794-A VASODILATION MERCK & CO., INC. (US) 1977-05-10 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-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS PTGIR, PTGDR, PTGER1 TSHR 1262/4885KDM4E 1361/4885ALDH1A1 569/4885
US-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 TSHR 2519/4885KDM4E 2004/4885ALDH1A1 594/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 TSHR 1976/4885KDM4E 1141/4885ALDH1A1 273/4885

“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.