SCHEMBL12698272

SCHEMBL12698272

COC(=O)/C=C/C=C/c1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.57
▸ FOS P01100 1/20 0.57
▸ JUN P05412 1/20 0.57
▸ BCHE P06276 1/20 0.57
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ ABCG2 Q9UNQ0 2/20 0.53
▸ MAOA P21397 2/20 0.53
▸ CYP1A1 P04798 2/20 0.53
▸ CYP1B1 Q16678 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ NR1H4 Q96RI1 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3290633 0.89 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL31737429 0.89 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL3290630 0.89 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL30970401 0.89 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL29975428 0.86 FOS (0.62) MAOBFOSJUNBCHECYP1A2
SCHEMBL15932965 0.86 MAOB (0.58) MAOBFOSJUNBCHECYP1A2
SCHEMBL3452240 0.86 FOS (0.62) MAOBFOSJUNBCHECYP1A2
SCHEMBL3452239 0.86 FOS (0.62) MAOBFOSJUNBCHECYP1A2
SCHEMBL1206934 0.86 MAOB (0.52) MAOBFOSJUNBCHECYP1A2
SCHEMBL1206933 0.86 MAOB (0.52) MAOBFOSJUNBCHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 — — EP disclosed
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 — — US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 — — US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 — — US disclosed
WO-2012050848-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-04-19 — — 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-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L MAOB 975/4885FOS 3965/4885JUN 2790/4885

“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.

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