SCHEMBL578280

SCHEMBL578280

COc1ccc2c(c1)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MTNR1A P48039 1/20 0.43
CLK1 P49759 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
BCL2 P10415 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 3/20 0.43
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
DRD3 P35462 3/20 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
SCHEMBL30563599 1.00 KDM4E (0.44) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL29469491 0.95 KDM4E (0.43) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL3716710 0.89 GSK3B (0.48) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL29845506 0.89 GSK3B (0.48) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL28208485 0.87 GSK3B (0.48) CLK1DYRK1ADYRK1BNOTUM
SCHEMBL3339233 0.86 DRD2 (0.52) CLK1DYRK1ADYRK1BKCNH2DRD2
SCHEMBL30534778 0.86 DRD2 (0.52) CLK1DYRK1ADYRK1BKCNH2DRD2
Hydrochloric Acid SCHEMBL29836377 0.84 KCNH2 (0.53) CLK1DYRK1ADYRK1BKCNH2DRD2
SCHEMBL16659182 0.81 CTNNB1 (0.43) KDM4EALDH1A1HPGDCLK1DYRK1A
SCHEMBL31432671 0.81 DRD2 (0.51) KCNH2DRD2DRD1DRD5DRD3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240167066-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND DAICEL CORPORATION (JP) 2024-05-23 US disclosed
EP-3386506-B1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LTD (GB) 2024-01-24 EP disclosed
WO-2022202961-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND 株式会社ダイセル 2022-09-29 WO disclosed
EP-3390394-B1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 WO disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 EP disclosed
EP-2852589-B1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2021-04-28 EP disclosed
EP-2852588-B1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2017-11-29 EP disclosed
WO-2017098254-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-15 WO disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
EP-0150291-B1 SUBSTITUTED 5-HYDROXY-2,3-DIHYDROBENZOFURANS AND 6-HYDROXY-2,3-DIHYDROBENZOPYRANS AND ANALOGUES THEREOF USEFUL AS ANTI-INFLAMMATORY AGENTS MERCK & CO. INC. (US) 1989-03-15 EP disclosed
US-4563476-A TOPICAL, SKIN DISORDERS MERCK & CO., INC. (US) 1986-01-07 US disclosed
US-4558067-A Phenylthiomethyl-6-hydroxy-2,3-dihydrobenzo-pyran and analogs thereof useful as anti-inflammatory agents MERCK & CO., INC. (US) 1985-12-10 US disclosed
EP-0150291-A1 Substituted 5-hydroxy-2,3-dihydrobenzofurans and 6-hydroxy-2,3-dihydrobenzopyrans and analogues thereof useful as anti-inflammatory agents MERCK & CO. INC. (US) 1985-08-07 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 (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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885NPC1 427/4885ALDH1A1 1913/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KDM4E 3609/4885NPC1 427/4885ALDH1A1 1913/4885

“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.