SCHEMBL3198638

SCHEMBL3198638

c1ccc2c(c1)COc1cc3ccccc3cc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 8/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.43
DHODH Q02127 1/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP2C19 P33261 2/20 0.43
TYMS P04818 1/20 0.43
CYP1A2 P05177 1/20 0.43
AKR1B1 P15121 1/20 0.41
ROCK2 O75116 2/20 0.40

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
SCHEMBL17336259 0.78 SRD5A2 (0.55) ALDH1A1TDP1ROCK2
SCHEMBL132696 0.76 MAOB (0.60) MAOAMAOBALDH1A1MAPTHPGD
SCHEMBL29799860 0.76 MAOB (0.60) MAOAMAOBALDH1A1MAPTHPGD
SCHEMBL29395306 0.76 MAOB (0.60) MAOAMAOBALDH1A1MAPTHPGD
SCHEMBL16569766 0.76 DHODH (0.43) MAOAMAOBALDH1A1MAPTHPGD
SCHEMBL86315 0.76 MAOA (0.50) MAOAMAOBALDH1A1MAPTHPGD
Anthracene SCHEMBL27987486 0.74 MAOA (0.77) MAOAMAOBALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL572068 0.74 MAOB (0.58) MAOAMAOBALDH1A1MAPTHPGD
Methane SCHEMBL29238124 0.74 MAOB (0.58) MAOAMAOBALDH1A1MAPTHPGD
Bromide SCHEMBL11255119 0.74 MAOB (0.58) MAOAMAOBALDH1A1MAPTHPGD

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-7671084-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2010-03-02 US disclosed
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2007-03-01 US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US disclosed
EP-1718630-A1 DIBENZO CHROMENE DERIVATIVES AND THEIR USE AS ER&bgr; SELECTIVE LIGANDS Wyeth a Corporation of the State of Delaware (US) 2006-11-08 EP disclosed
US-20050234074-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2005-10-20 US disclosed
WO-2005082880-A1 DIBENZO CHROMENE DERIVATIVES AND THEIR USE AS ERβ SELECTIVE LIGANDS WYETH (US) 2005-09-09 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-20050234074-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRB MAOA 3293/4885MAOB 2043/4885ALDH1A1 2261/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA MAOA 3201/4885MAOB 2032/4885ALDH1A1 2552/4885

“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.