SCHEMBL1726294

SCHEMBL1726294

CC(=O)c1ccc2c(c1)CCCO2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.61
WNT3A P56704 7/20 0.61
KDM4E B2RXH2 2/20 0.57
PRKCI P41743 1/20 0.54
PIR O00625 1/20 0.47
HSF1 Q00613 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL7057339 0.95 CTNNB1 (0.56) CTNNB1WNT3AKDM4EPRKCIPIR
SCHEMBL29793780 0.90 PRKCI (0.62) CTNNB1WNT3AKDM4EPRKCINPC1
SCHEMBL102518 0.90 PRKCI (0.62) CTNNB1WNT3AKDM4EPRKCINPC1
SCHEMBL875455 0.85 CTNNB1 (0.67) CTNNB1WNT3AKDM4EPRKCINPC1
SCHEMBL31262479 0.85 CTNNB1 (0.67) CTNNB1WNT3AKDM4EPRKCINPC1
SCHEMBL8319676 0.83 PRKCI (0.63) CTNNB1WNT3APRKCINPC1RAB9A
SCHEMBL29654041 0.83 PRKCI (0.63) CTNNB1WNT3APRKCINPC1RAB9A
SCHEMBL671055 0.83 CTNNB1 (0.57) CTNNB1WNT3AKDM4EPRKCIPIR
SCHEMBL27312616 0.83 CTNNB1 (0.57) CTNNB1WNT3AKDM4EPRKCIPIR
SCHEMBL27629579 0.83 CTNNB1 (0.68) CTNNB1WNT3APRKCINPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9187438-B2 Derivatives of benzothiazines, preparation thereof and application thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2015-11-17 US disclosed
EP-2403840-B1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PF MEDICAMENT (FR) 2014-05-14 EP disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
WO-1992006084-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 WO disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5045551-A Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-09-03 US disclosed
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US 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-0419130-A2 Acetylenes disubstituted with a heteroaromatic 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
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

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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 CTNNB1 2870/4885WNT3A 1312/4885KDM4E 192/4885
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES POLRMT, MAVS, EIF2AK2 CTNNB1 3907/4885WNT3A 3567/4885KDM4E 1408/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 CTNNB1 2870/4885WNT3A 1312/4885KDM4E 192/4885

“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.