SCHEMBL5564719

SCHEMBL5564719

O=C(C(=O)N1CCCCC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.66
▸ GAA P10253 2/20 0.61
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ ALOX5 P09917 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL12489727 0.98 HPGD (0.62) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL12018338 0.90 CES2 (0.56) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL28916549 0.87 HPGD (0.69) HPGDMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL29738490 0.85 HPGD (0.58) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL23564897 0.82 HPGD (0.58) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL19380449 0.81 PHGDH (0.70) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL19987424 0.81 HPGD (0.61) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL14453332 0.81 HPGD (0.61) HPGDGAAMEN1KMT2ACYP2C9
SCHEMBL28916572 0.81 HPGD (0.65) HPGDKMT2AALDH1A1USP2LMNA
SCHEMBL8566690 0.81 HPGD (0.62) HPGDGAAKMT2ACYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017077550-A1 A METAL FREE PROCESS FOR THE PREPARATION OF ALPHA-SUBSTITUTED CARBONYL COMPOUNDS FROM ALKENES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-11 — — WO claimed
EP-0635004-B1 4-DIPHENYLMETHYL PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERRELL PHARMA INC (US) 2002-07-17 — — EP claimed
CN-1275977-A Heterocyclic thioesters and ketones GPI NIL HOLDING CO (US) 2000-12-06 — — CN claimed
CN-113248458-B Preparation method of alpha-carbonyl amide compound 陕西省煤田地质集团有限公司 2022-09-27 — — CN disclosed
CN-113248458-A Preparation method of alpha-carbonyl amide compound 陕西省煤田地质集团有限公司 2021-08-13 — — CN disclosed
WO-2018050546-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC MATERIAL Université de Liège (BE) 2018-03-22 — — WO disclosed
WO-2018050546-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC MATERIAL Université de Liège (BE) 2018-03-22 — — WO disclosed
EP-3296292-A1 METHOD FOR THE PREPARATION OF ALKYL PHENIDATES Université de Liège (BE) 2018-03-21 — — EP disclosed
EP-3296292-A1 METHOD FOR THE PREPARATION OF ALKYL PHENIDATES Université de Liège (BE) 2018-03-21 — — EP disclosed
WO-2017077550-A1 A METAL FREE PROCESS FOR THE PREPARATION OF ALPHA-SUBSTITUTED CARBONYL COMPOUNDS FROM ALKENES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-11 — — WO disclosed
CN-104529686-B One utilizes aryl ester and amide to react to prepare asymmetric acid imide 内蒙古师范大学 2016-06-29 — — CN disclosed
US-7247730-B2 Process for the preparation of dexmethylphenidate hydrochloride ISP INVESTMENTS INC. (US) 2007-07-24 — — US disclosed
US-7247730-B2 Process for the preparation of dexmethylphenidate hydrochloride ISP INVESTMENTS INC. (US) 2007-07-24 — — US disclosed
CN-1285575-C Heterocyclic thioesters and ketones GPI NIL HOLDING CO (US) 2006-11-22 — — CN disclosed
US-7002016-B2 Process for the preparation of threo-methylphenidate hydrochloride ISP INVESTMENTS INC. (US) 2006-02-21 — — US disclosed
WO-2004080583-A2 PROCESS FOR THE PREPARATION OF threo-METHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 — — WO disclosed
WO-2004080959-A2 PROCESS FOR THE PREPARATION OF DEXMETHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 — — WO disclosed
US-20040180928-A1 Process for the preparation of dexmethylphenidate hydrochloride ISP INVESTMENTS INC. 2004-09-16 — — US disclosed
US-20040176412-A1 Process for the preparation of threo-methylphenidate hydrochloride ISP INVESTMENTS INC. 2004-09-09 — — US disclosed
CN-1275977-A Heterocyclic thioesters and ketones GPI NIL HOLDING CO (US) 2000-12-06 — — CN 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-20040176412-A1 Process for the preparation of threo-methylphenidate hydrochloride COMT, METTL3, SLC6A3 HPGD 4202/4885GAA 665/4885MEN1 4800/4885
US-20040180928-A1 Process for the preparation of dexmethylphenidate hydrochloride HTR1A, HTR6, COMT HPGD 3854/4885GAA 92/4885MEN1 4043/4885

“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.

Send feedback