SCHEMBL7653079

SCHEMBL7653079

CCOC(=O)CCCc1ccc(I)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.58
CYP4A11 Q02928 3/20 0.58
CYP4Z1 Q86W10 3/20 0.58
CYP4F11 Q9HBI6 1/20 0.58
CYP4F12 Q9HCS2 1/20 0.58
ALOX5 P09917 2/20 0.56
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FAAH O00519 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7658000 0.95 CYP4Z1 (0.59) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL1263477 0.94 CYP4Z1 (0.58) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL9559017 0.94 CYP4Z1 (0.58) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL4871127 0.90 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL765847 0.86 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10289874 0.86 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL765000 0.86 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL8613439 0.85 CYP4F2 (0.66) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL22334798 0.85 CYP4F2 (0.65) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL5050631 0.85 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979893-B N-hydroxy formamidine derivative, preparation method and application 中国药科大学 2023-10-24 CN disclosed
CN-113979893-A N-hydroxyformamidine derivative, preparation method and application 中国药科大学 2022-01-28 CN disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
US-9452166-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-20160015713-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9127006-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2015-09-08 US disclosed
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-10-23 US disclosed
US-8809527-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140081022-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-03-20 US 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 (5 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-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 CYP4F2 1689/4885CYP4A11 2931/4885CYP4Z1 4642/4885
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 CYP4F2 1689/4885CYP4A11 2931/4885CYP4Z1 4642/4885
US-20140081022-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 CYP4F2 1689/4885CYP4A11 2931/4885CYP4Z1 4642/4885
US-20160015713-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 CYP4F2 1689/4885CYP4A11 2931/4885CYP4Z1 4642/4885
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 CYP4F2 1689/4885CYP4A11 2931/4885CYP4Z1 4642/4885

“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.