SCHEMBL4871127

SCHEMBL4871127

CCOC(=O)CCc1ccc(I)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.72
CYP4A11 Q02928 2/20 0.72
CYP4Z1 Q86W10 3/20 0.56
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
CYP4F11 Q9HBI6 1/20 0.47
CYP4F12 Q9HCS2 1/20 0.47
EPHX2 P34913 1/20 0.45
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
ABCB1 P08183 1/20 0.43

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
SCHEMBL8613439 0.95 CYP4F2 (0.66) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL68902 0.91 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL7653079 0.90 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL7658000 0.88 CYP4Z1 (0.59) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL9559017 0.87 CYP4Z1 (0.58) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL1263477 0.87 CYP4Z1 (0.58) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL363982 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL11437256 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL10206072 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL879130 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1HRH3

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107400096-A A kind of synthetic method of triazole compounds 湖南华腾制药有限公司 2017-11-28 CN disclosed
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
CN-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
WO-1992006084-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 WO disclosed
EP-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
CN-1050385-A Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like ALLERGAN INC (US) 1991-04-03 CN disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
EP-0419131-A2 Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4980369-A ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTIULCER AGENTS, WOUND HEALING AGENTS ALLERGAN, INC. (US) 1990-12-25 US disclosed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US disclosed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 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 (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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB CYP4F2 3741/4885CYP4A11 2667/4885CYP4Z1 3489/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP4F2 3413/4885CYP4A11 3227/4885CYP4Z1 3016/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP4F2 2773/4885CYP4A11 2827/4885CYP4Z1 2929/4885

“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.