SCHEMBL2194526

SCHEMBL2194526

CC1(C)CCC(C)(C)c2cc3c(cc21)OCCC3=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.46
MAOA P21397 1/20 0.46
GRM5 P41594 9/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXRA P19793 2/20 0.38
RARA P10276 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL8809982 0.78 HIF1A (0.41) RXRARARARXRG
SCHEMBL86805 0.78 MAOB (0.62) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL8312185 0.77 RXRA (0.32) RXRARARARXRG
SCHEMBL8312187 0.77 RXRA (0.32) RXRARARARXRG
SCHEMBL15362735 0.76 RXRA (0.36) MAOBMAOARXRARARARXRG
SCHEMBL8308676 0.73 ALDH1A1 (0.54) MAOBNPC1ALDH1A1HPGDRAB9A
SCHEMBL6913758 0.73 MAOA (0.42) MAOBMAOARXRARARARXRG
SCHEMBL8312128 0.73
SCHEMBL8312125 0.73
SCHEMBL30558386 0.73 MAOB (0.53) MAOBMAOAGRM5NPC1ALDH1A1

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 13 patents. 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
EP-0933351-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0800504-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP 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 (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-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA CBR3, CD47, ATL3 MAOB 4751/4885MAOA 4792/4885GRM5 1570/4885

“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.