SCHEMBL7658000

SCHEMBL7658000

CCOC(=O)CCCCc1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.59
CYP4F2 P78329 3/20 0.57
CYP4A11 Q02928 3/20 0.57
CYP4F11 Q9HBI6 1/20 0.53
CYP4F12 Q9HCS2 1/20 0.53
ALOX5 P09917 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MAPK1 P28482 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.44
FAAH O00519 1/20 0.44
TBXAS1 P24557 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL9559017 0.98 CYP4Z1 (0.58) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL1263477 0.98 CYP4Z1 (0.58) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL7653079 0.95 CYP4F2 (0.58) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL9671800 0.90 CYP4Z1 (0.65) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL4871127 0.88 CYP4F2 (0.72) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL14570534 0.87 CYP4Z1 (0.62) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL6204525 0.85 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10289901 0.85 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10929511 0.85 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL5542104 0.85 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-6344463-B1 SKIN DISORDERS, ACNE ALLERGAN SALES, INC. 2002-02-05 US disclosed
EP-0636127-B1 Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN INC (US) 2001-04-04 EP disclosed
US-6090826-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN SALES, INC. (US) 2000-07-18 US disclosed
US-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5717094-A 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS ALLERGAN (US) 1998-02-10 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed
US-5663347-A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS; ANTICARCINOGNIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
CN-1032204-C Acetylenes disubstituted with phenyl group and heterobicyclic group having retinoid like activity ALLERGEN INC (US) 1996-07-03 CN disclosed
US-5248777-A Inhibitors of ornithine decarboxylase ALLERGAN, INC. (US) 1993-09-28 US disclosed
WO-1993016068-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US 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
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 (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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 CYP4Z1 1673/4885CYP4F2 142/4885CYP4A11 128/4885

“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.