SCHEMBL6208215

SCHEMBL6208215

Oc1ccc2c(c1)OCC1=C2COc2cc(O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.58
ESR1 P03372 5/20 0.58
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
MIF P14174 2/20 0.50
CYP3A4 P08684 1/20 0.48
ESRRB O95718 6/20 0.45
ESRRA P11474 6/20 0.45
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
YES1 P07947 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
CYP19A1 P11511 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL21780835 0.89 MAOA (0.60) ESR2ESR1MAOBMAOAMIF
SCHEMBL16847161 0.89 ESR1 (0.50) ESR2ESR1MAOBMAOAMIF
SCHEMBL21780749 0.83 MAOA (0.54) ESR2ESR1MAOBMAOAMIF
SCHEMBL12254998 0.81 ESR2 (0.47) ESR2ESR1MAOBMAOAMIF
SCHEMBL29409544 0.79 MAOB (0.68) ESR2ESR1MAOBMAOAMIF
SCHEMBL30577530 0.79 MAOA (0.49) ESR2ESR1MAOBMAOAMIF
SCHEMBL802750 0.79 MAOA (0.49) ESR2ESR1MAOBMAOAMIF
SCHEMBL563933 0.79 MAOB (0.68) ESR2ESR1MAOBMAOAMIF
SCHEMBL12023218 0.79 ESR2 (0.45) ESR2ESR1MAOBMAOAMIF
SCHEMBL16847129 0.78 ESR1 (0.64) ESR2ESR1MAOBMAOAMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083634-B1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9828365-B2 Fused tetracyclic heterocyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-9828365-B2 Fused tetracyclic heterocyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-20170217940-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20170217940-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
WO-2015094998-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089810-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 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-20170217940-A1 FUSED TETRACYCLIC HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, F9, RAB9A ESR2 3060/4885ESR1 3473/4885MAOB 392/4885

“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.