SCHEMBL6581996

SCHEMBL6581996

O=C(O)CC1(CC(=O)O)CCC1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 2/20 0.62
USP2 O75604 2/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
CACNA2D1 P54289 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP2C19 P33261 1/20 0.48
HSD11B1 P28845 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 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
SCHEMBL11587611 0.97 ALDH1A1 (0.60) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL337085 0.94 ALDH1A1 (0.70) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL10602483 0.92 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL3421776 0.92 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL98282 0.92 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL2871721 0.92 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
Hydrochloric Acid SCHEMBL4137591 0.89 ALDH1A1 (0.71) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL929568 0.89 ALDH1A1 (0.71) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL10299523 0.88 CYP1A2 (0.52) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL9681942 0.88 ALDH1A1 (0.54) ALDH1A1CYP1A2USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN disclosed
US-9284283-B2 Macrocyclic compounds for modulating IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2016-03-15 US disclosed
US-9284283-B2 Macrocyclic compounds for modulating IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2016-03-15 US disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
WO-2013116682-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2013-08-08 WO disclosed
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed
EP-0854131-B1 PROCESS FOR THE PREPARATION OF ALKYL CARBOXYLATES TORAY INDUSTRIES (JP) 2003-03-19 EP disclosed
EP-1200406-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
WO-2001005765-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-01-25 WO disclosed
US-6087527-A Method for producing alkyl carboxylates by multi-stage esteridication interrupted with a dehydration step TORAY INDUSTRIES, INC. (JP) 2000-07-11 US disclosed
EP-0854131-A1 PROCESS FOR THE PREPARATION OF ALKYL CARBOXYLATES TORAY INDUSTRIES, INC. (JP) 1998-07-22 EP disclosed
US-4098830-A OXIDATIVE COUPLING OF ALKYLPHENOLS OR 1-NAPHTHOLS CATALYZED BY METAL COMPLEXES OF DICARBOXYLIC ACID COMPOUNDS ICI AMERICAS INC. (US) 1978-07-04 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 ALDH1A1 815/4885CYP1A2 111/4885USP2 4290/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL ALDH1A1 2821/4885CYP1A2 2334/4885USP2 3042/4885

“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.