SCHEMBL2526487

SCHEMBL2526487

CCCCC[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.47
CCR2 P41597 1/20 0.46
ALOX5 P09917 1/20 0.42
ANPEP P15144 1/20 0.41
ENPEP Q07075 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
SCHEMBL503716 1.00 PKM (0.55) PKMTP53HTTMEN1KMT2A
SCHEMBL503717 1.00 PKM (0.55) PKMTP53HTTMEN1KMT2A
SCHEMBL1896639 0.98 TP53 (0.57) PKMTP53HTTMEN1KMT2A
SCHEMBL10141498 0.98 TP53 (0.57) PKMTP53HTTMEN1KMT2A
SCHEMBL10623074 0.98 PKM (0.54) PKMTP53HTTMEN1KMT2A
SCHEMBL24919991 0.98 TP53 (0.57) PKMTP53HTTMEN1KMT2A
SCHEMBL9190483 0.98 TP53 (0.57) PKMTP53HTTMEN1KMT2A
SCHEMBL9196316 0.98 TP53 (0.57) PKMTP53HTTMEN1KMT2A
SCHEMBL8435960 0.98 TP53 (0.57) PKMTP53HTTMEN1KMT2A
SCHEMBL10623080 0.98 PKM (0.54) PKMTP53HTTMEN1KMT2A

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
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
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-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP disclosed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO disclosed
CN-102822176-B Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN LA ROCHE 2015-07-22 CN disclosed
EP-2552919-B1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 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 (3 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-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR PKM 3727/4885TP53 3552/4885HTT 601/4885
US-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP PKM 1500/4885TP53 4790/4885HTT 453/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP PKM 1607/4885TP53 4773/4885HTT 514/4885

“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.