SCHEMBL7985998

SCHEMBL7985998

CCOC(=O)Cc1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.56
MAOA P21397 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
MAOB P27338 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43
AURKA O14965 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10420380 0.88 NLRP3 (0.52) ENPP2MAOAL3MBTL1PKMNPC1
SCHEMBL30054080 0.88 NLRP3 (0.52) ENPP2MAOAL3MBTL1PKMNPC1
SCHEMBL16180236 0.85 HDAC1 (0.53) ENPP2MAOAHDAC1HDAC8MAOB
SCHEMBL17316650 0.81 ENPP2 (0.49) ENPP2MAOAHDAC1HDAC8MAOB
SCHEMBL27987840 0.80 CA12 (0.50) MAOBL3MBTL1PKMNPC1NFKB1
SCHEMBL2037042 0.79 PPID (0.58) MAOATHRATHRBSMN1; SMN2ALOX15
SCHEMBL31226031 0.79 ENPP2 (0.47) ENPP2MAOAHDAC1HDAC8MAOB
SCHEMBL13415005 0.79 TSHR (0.57) MAOAHDAC1HDAC8THRATHRB
SCHEMBL5781502 0.78 MAOA (0.45) ENPP2MAOAHDAC1HDAC8THRA
SCHEMBL5781302 0.78 MAOA (0.45) ENPP2MAOAHDAC1HDAC8THRA

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
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 EP disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 WO disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-0868178-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2000-03-29 EP disclosed
EP-0868178-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-07 EP disclosed
WO-1997021435-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA ENPP2 284/4885MAOA 4492/4885HDAC1 255/4885

“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.