SCHEMBL3919086

SCHEMBL3919086

CC(C)c1cc(C=O)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TACR2 P21452 1/20 0.51
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
GLRA1 P23415 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL27620050 0.89 MAOA (0.52) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL11890529 0.88 ALDH1A1 (0.49) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL19923160 0.86 MAOA (0.52) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL21547995 0.84 ALDH1A1 (0.51) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL5363004 0.82 GLRA1 (0.62) MAOAMAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL21354412 0.82 RAB9A (0.66) ALDH1A1SMN1; SMN2KDM4ELMNAGLRA1
SCHEMBL5119999 0.82 ALDH1A1 (0.54) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL2460248 0.82 TACR2 (0.53) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL584489 0.82 TACR2 (0.62) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL29446267 0.82 TACR2 (0.62) MAOAMAOBALDH1A1SMN1; SMN2TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114846001-B Benzo condensed ring compound 南京明德新药研发有限公司 2024-01-23 CN disclosed
CN-114846001-A Benzo-fused ring compounds 南京明德新药研发有限公司 2022-08-02 CN disclosed
WO-2021135335-A1 LIVER-TARGETING COMPOUND HAVING THYROID HORMONE RECEPTOR AGONIST CHARACTERISTICS AND PHARMACEUTICAL COMPOSITION THEREOF 厦门甘宝利生物医药有限公司 2021-07-08 WO disclosed
WO-2021129827-A1 BENZO FUSED RING-BASED COMPOUND 南京明德新药研发有限公司 2021-07-01 WO disclosed
CN-109641858-B Crystals and salts of resorcin derivatives and process for producing the same 正大天晴药业集团股份有限公司 2021-06-25 CN disclosed
US-10851071-B2 M-dihydroxybenzene derivative crystal and salt, and manufacturing method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-12-01 US disclosed
US-20190284146-A1 M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-09-19 US disclosed
CN-109641858-A The crystallization of resorcinol analog derivative, salt and preparation method thereof 正大天晴药业集团股份有限公司 2019-04-16 CN disclosed
CN-107108591-A It is used as the resorcinol analog derivative of HSP90 inhibitor 正大天晴药业集团股份有限公司 2017-08-29 CN disclosed
US-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2009-07-09 US disclosed
EP-2036887-A1 NOVEL 6-5 BICYCIC HETEROCYCLIC DERIVATIVE AND MEDICAL USE THEREOF Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2009-03-18 EP disclosed
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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 (4 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB MAOA 2245/4885MAOB 2276/4885ALDH1A1 3008/4885
US-20190284146-A1 M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF HSP90AB1, HSP90AA1, HSP90AB2P MAOA 3223/4885MAOB 884/4885ALDH1A1 1211/4885
US-10851071-B2 M-dihydroxybenzene derivative crystal and salt, and manufacturing method thereof HSP90AB1, HSP90AA1, HSP90AB2P MAOA 3223/4885MAOB 884/4885ALDH1A1 1211/4885
US-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY TSHR, TRHR, THRA MAOA 2522/4885MAOB 2178/4885ALDH1A1 2560/4885

“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.