SCHEMBL8073579

SCHEMBL8073579

COc1ccc2c(OC)c(C)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
SLC2A1 P11166 1/20 0.49
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL19999346 0.82 ALDH1A1 (0.55) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL27902298 0.81 CYP2A6 (0.65) CYP1A2CYP2A6KDM4EALDH1A1HSD17B1
SCHEMBL50546 0.81 IDO1 (0.56) CYP1A2CYP2A6SLC2A1TUBB4ATUBB
SCHEMBL19097521 0.80 SLC2A1 (0.46) CYP1A2CYP2A6SLC2A1TUBB4ATUBB
SCHEMBL29862123 0.79 TUBB1 (0.41) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL12760868 0.79 TUBB4A (0.51) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL21470015 0.79 CYP1A2 (0.48) CYP1A2CYP2A6KDM4EALDH1A1RXFP1
SCHEMBL21830350 0.79 CYP2A6 (0.48) CYP1A2CYP2A6SLC2A1TUBB4ATUBB
SCHEMBL21830373 0.79 CYP2A6 (0.48) CYP1A2CYP2A6SLC2A1TUBB4ATUBB
SCHEMBL15266968 0.79 CYP1A2 (0.48) CYP1A2CYP2A6SLC2A1TUBB4ATUBB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
EP-3009437-A1 A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2016-04-20 EP disclosed
EP-2197883-B1 Catecholamine derivative useful for the treatment of parkinson's disease LUNDBECK & CO AS H (DK) 2015-11-18 EP disclosed
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. LUNDBECK A/S (DK) 2012-05-03 US disclosed
US-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF H. LUNDBECK A/S (DK) 2012-03-29 US disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 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-20120077836-A1 METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, SNCA, OPRD1 CYP1A2 313/4885CYP2A6 397/4885SLC2A1 1996/4885
US-20120108624-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS PARK7, ACHE, SNCA CYP1A2 1180/4885CYP2A6 1721/4885SLC2A1 4500/4885

“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.