SCHEMBL2194086

SCHEMBL2194086

CC1(C)CCC(C)(C)c2cc3c(=O)ccoc3cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
FTO Q9C0B1 2/20 0.45
ACHE P22303 4/20 0.42
MAOB P27338 8/20 0.42
MAOA P21397 6/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
SIGMAR1 Q99720 8/20 0.41
BCHE P06276 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL23445095 0.75 GLI1 (0.41) KDM4EACHEMAOARARARARB
SCHEMBL3681299 0.73 FTO (0.61) KDM4EFTOACHEMAOBMAOA
SCHEMBL31292049 0.71 FTO (0.53) KDM4EFTOACHEMAOBMAOA
SCHEMBL4951315 0.71 FTO (0.53) KDM4EFTOACHEMAOBMAOA
Hydrochloric Acid SCHEMBL27956352 0.69 FTO (0.52) KDM4EFTOACHEMAOBMAOA
SCHEMBL22938459 0.69 RARB (0.46) RARARARBRARG
SCHEMBL29639995 0.69 RARB (0.43) RARARARBRARG
SCHEMBL9432877 0.69 FTO (0.55) KDM4EFTOACHEMAOBMAOA
SCHEMBL11036797 0.67 PTPN1 (0.58) KDM4EFTOACHEMAOBMAOA
SCHEMBL29621714 0.67 PTPN1 (0.58) KDM4EFTOACHEMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
EP-2345409-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA Kagoshima University (JP) 2011-07-20 EP disclosed
EP-2345409-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA Kagoshima University (JP) 2011-07-20 EP disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
WO-2010032582-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA 国立大学法人鹿児島大学 (JP) 2010-03-25 WO disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933351-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
US-5770382-A RETINOIC ACID AND RETINOID X RECEPTOR AGONISTS; TREATINGSKIN, EYE, BRAIN, AND CARDIOVASCULAR DISORDERS; CANCER LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770378-A A VITAMINE A METABOLITE, POTENT DRUGS TREATING SKIN DISEASES, CANCER, EYE DISEASES, CARDIOVASCULAR DISORDERS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770383-A ACTIVATE RETINOID RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
EP-0800504-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed
WO-1996020914-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO 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 (2 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-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA CBR3, CD47, ATL3 KDM4E 236/4885FTO 4401/4885ACHE 4588/4885
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA KDM4E 2476/4885FTO 4736/4885ACHE 4676/4885

“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.