SCHEMBL870352

SCHEMBL870352

CON(C)C(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.57
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 7/20 0.48
LMNA P02545 3/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9152657 0.94 MLYCD (0.53) MLYCDTDP1ALDH1A1LMNACES2
SCHEMBL9707103 0.91 MLYCD (0.54) MLYCDTDP1ALDH1A1LMNACES2
SCHEMBL1012521 0.83 MLYCD (0.57) MLYCDALDH1A1LMNASMN1; SMN2HSD17B1
SCHEMBL22531823 0.83 MLYCD (0.57) MLYCDALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL1303906 0.83 MLYCD (0.57) MLYCDTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3305455 0.82 ALDH1A1 (0.57) MLYCDTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL6616024 0.82 MLYCD (0.56) MLYCDTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL286256 0.82 CES2 (0.57) MLYCDALDH1A1CES2CES1SMN1; SMN2
SCHEMBL306600 0.82 MLYCD (0.60) MLYCDALDH1A1CES2CES1SMN1; SMN2
SCHEMBL623946 0.82 PKM (0.56) MLYCDTDP1ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
EP-3822253-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-05-19 EP disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 US disclosed
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
US-7157580-B2 Aminopyrimidine and aminopyridine anti-inflammation agents ROCHE PALO ALTO LLC (US) 2007-01-02 US disclosed
US-7157580-B2 Aminopyrimidine and aminopyridine anti-inflammation agents ROCHE PALO ALTO LLC (US) 2007-01-02 US disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP disclosed
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 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 (7 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 MLYCD 28/4885TDP1 2969/4885ALDH1A1 791/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MLYCD 2341/4885TDP1 813/4885ALDH1A1 177/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MLYCD 2341/4885TDP1 813/4885ALDH1A1 177/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A MLYCD 2341/4885TDP1 813/4885ALDH1A1 177/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A MLYCD 2341/4885TDP1 813/4885ALDH1A1 177/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI MLYCD 3640/4885TDP1 3959/4885ALDH1A1 132/4885
US-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 MLYCD 3426/4885TDP1 4708/4885ALDH1A1 3260/4885

“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.