SCHEMBL9899525

SCHEMBL9899525

CCCCCC1CCC(CC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
AKR1B1 P15121 1/20 0.41
KDM5A P29375 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL17592080 1.00 MAPT (0.51) MAPTTP53PKMHTTMEN1
SCHEMBL10726112 1.00 MAPT (0.51) MAPTTP53PKMHTTMEN1
Hydrochloric Acid SCHEMBL9341100 0.98 MAPT (0.50) MAPTTP53PKMHTTMEN1
Hydrochloric Acid SCHEMBL9341103 0.98 MAPT (0.50) MAPTTP53PKMHTTMEN1
SCHEMBL7511417 0.94 MAPT (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL9897732 0.94 MAPT (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL9897733 0.94 MAPT (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL11200347 0.94 MAPT (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL9406949 0.94 MAPT (0.57) MAPTTP53PKMHTTMEN1
SCHEMBL9406956 0.94 MAPT (0.57) MAPTTP53PKMHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191088-B1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY & BEDFORD NEW COLLEGE (GB) 2020-12-16 EP claimed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 US claimed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US claimed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO claimed
US-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-04-06 US disclosed
WO-2021124272-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2021-06-24 WO disclosed
EP-3191088-B1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY & BEDFORD NEW COLLEGE (GB) 2020-12-16 EP disclosed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US disclosed
EP-2468740-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORP (JP) 2017-08-02 EP disclosed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
EP-0133489-B1 NEMATIC COMPOUNDS MERCK PATENT GmbH (DE) 1988-01-20 EP disclosed
US-4637897-A Nematic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-01-20 US disclosed
EP-0058512-B1 LIQUID CRYSTAL COMPOUNDS EXHIBITING A SMALL DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL MATERIALS AND DEVICES INCORPORATING SUCH COMPOUNDS The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1986-01-15 EP disclosed
US-4556745-A BICYCOL(2.2.2) OCATANE RING THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1985-12-03 US disclosed
EP-0133489-A2 Nematic compounds MERCK PATENT GmbH (DE) 1985-02-27 EP disclosed
US-4439015-A Disubstituted ethanes HOFFMANN-LA ROCHE INC. (US) 1984-03-27 US disclosed
EP-0058512-A1 Liquid crystal compounds exhibiting a small dielectric anisotropy and liquid crystal materials and devices incorporating such compounds The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-08-25 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-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CCND1, CCND2 MAPT 3281/4885TP53 3330/4885PKM 1597/4885
US-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP MAPT 29/4885TP53 4790/4885PKM 1500/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP MAPT 27/4885TP53 4773/4885PKM 1607/4885
US-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF HCCS, CCL11, BCAT1 MAPT 4436/4885TP53 1332/4885PKM 506/4885

“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.