SCHEMBL1311076

SCHEMBL1311076

COc1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.65
ALDH1A1 P00352 2/20 0.61
MAOB P27338 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ERN1 O75460 3/20 0.52
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
ABCB1 P08183 2/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL865350 0.89 MAOA (0.58) HDAC8MAOBPOLBMAPTERN1
SCHEMBL2573994 0.88 TUBB1 (0.57) HDAC8ALDH1A1MAOBKDM4EERN1
SCHEMBL435043 0.88 ALDH1A1 (0.61) HDAC8ALDH1A1MAOBKDM4EPOLB
SCHEMBL4622268 0.87 HDAC8 (0.68) HDAC8ALDH1A1MAOBKDM4EPOLB
SCHEMBL4622274 0.87 HDAC8 (0.68) HDAC8ALDH1A1MAOBKDM4EPOLB
SCHEMBL1963431 0.87 HDAC8 (0.52) HDAC8ALDH1A1MAOBKDM4EPOLB
SCHEMBL3971633 0.87 HDAC8 (0.54) HDAC8ALDH1A1MAOBKDM4EPOLB
SCHEMBL21370452 0.87 NPC1 (0.61) HDAC8ALDH1A1MAOBPOLBMAPT
SCHEMBL3211263 0.86 HDAC8 (0.51) HDAC8ALDH1A1MAOBKDM4EPOLB
SCHEMBL9077095 0.86 ALDH1A1 (0.58) HDAC8ALDH1A1HTTTRIM24TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US claimed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US claimed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US claimed
CN-101691324-B Method for preparing 3-(2-hydroxy-4-methoxyphenyl)-1-(4-methoxy)-1-propanol UNIV SHANGHAI 2013-04-03 CN claimed
CN-101691324-A Method for preparing 3-(2-hydroxy-4-methoxyphenyl)-1-(4-methoxy)-1-propanol UNIV SHANGHAI 2010-04-07 CN claimed
CN-111184866-B Combination treatment of bacterial infections 香港中文大学 2023-12-19 CN disclosed
CN-107868091-B Meddigesin, derivatives thereof and preparation method thereof 怀特生技新药股份有限公司 2020-08-28 CN disclosed
CN-111184866-A Combination therapy for bacterial infections 香港中文大学 2020-05-22 CN disclosed
CN-104710438-B The volution compound and its preparation method and application for promoting iPS cell to generate 中国科学院上海药物研究所 2019-11-29 CN disclosed
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof PHYTOHEALTH CORPORATION (TW) 2019-08-20 US disclosed
US-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof PHYTOHEALTH CORPORATION (TW) 2019-08-20 US disclosed
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
US-5559105-A ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-24 US disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed
EP-0650484-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-03 EP disclosed
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 WO disclosed
US-4664929-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1987-05-12 US disclosed
US-4633006-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1986-12-30 US disclosed
US-4490296-A Compositions and method ROUSSEL UCLAF (FR) 1984-12-25 US 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-10385061-B2 Medicarpin, its derivatives, manufacturing method thereof SHARPIN, ATP6V1B1, REN HDAC8 4358/4885ALDH1A1 2007/4885MAOB 1618/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HDAC8 1951/4885ALDH1A1 274/4885MAOB 272/4885

“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.