SCHEMBL507742

SCHEMBL507742

CCCC(=O)c1ccc(C)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.69
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GSK3B P49841 1/20 0.59
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
STS P08842 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HTR7 P34969 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL26254861 0.91 HSD17B3 (0.82) HSD17B3KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL16552778 0.88 KMT2A (0.83) KMT2ASMN1; SMN2L3MBTL1GSK3BMEN1
SCHEMBL12939306 0.87 NPC1 (0.57) HSD17B3KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL4839086 0.87 HSD17B3 (0.71) HSD17B3KMT2AL3MBTL1GSK3BMEN1
SCHEMBL8525199 0.85 HSD17B3 (0.72) HSD17B3KMT2AL3MBTL1GSK3BSTS
SCHEMBL14571009 0.84 LMNA (0.52) HSD17B3KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL9419411 0.84 KMT2A (0.69) HSD17B3KMT2ASMN1; SMN2L3MBTL1GSK3B
SCHEMBL2082766 0.84 HSD17B3 (0.73) HSD17B3KMT2AL3MBTL1GSK3BSTS
SCHEMBL19047793 0.84 HSD17B3 (0.73) HSD17B3KMT2AL3MBTL1GSK3BSTS
SCHEMBL8510520 0.84 HSD17B3 (0.73) HSD17B3KMT2AL3MBTL1GSK3BSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118807-A Method for synthesizing aryl butanone by ligand-regulated nickel-catalyzed aryl cyclopropyl ketone ring-opening hydrogenation 陕西师范大学 2024-12-13 CN disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
CN-113574042-B Bisphenol composition and polycarbonate resin 三菱化学株式会社 2023-10-13 CN disclosed
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 WO disclosed
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2021-05-27 US disclosed
EP-3518927-B1 1-PHENYLPROPANONE COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI PADOVA (IT) 2020-08-12 EP disclosed
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-5220063-A Reacting arylisonitrosoalkanone with hydrogen and acyl doner in presence of transition metal catalyst HOECHST CELANESE CORPORATION (US) 1993-06-15 US disclosed
US-5198585-A Catalytic hydrogenation of arylisonitrosoalkanone HOECHST CELANESE CORPORATION (US) 1993-03-30 US disclosed
WO-1993001158-A1 METHOD FOR THE PREPARATION OF ARYLKETOAMINES HOECHST CELANESE CORPORATION (US) 1993-01-21 WO disclosed
US-5175368-A Hydrogenating aryl alpha-oximinoalkyl ketones in aqueous medium containing hydrochlroic acid, recovering salt HOECHST CELANESE CORPORATION (US) 1992-12-29 US disclosed
EP-0491557-A1 Process for the preparation of arylalkylamines and substituted arylalkylamines HOECHST CELANESE CORPORATION (US) 1992-06-24 EP disclosed
EP-0481705-A1 Process for the preparation of arylalkylamines and substituted arylalkylamines HOECHST CELANESE CORPORATION (US) 1992-04-22 EP disclosed
US-5041669-A Reacting alkyl aryl ketones with alkyl nitrites, extracting product, catalytically hydrogenating/reducing in nonaqueous acid mixture HOECHST CELANESE CORPORATION (US) 1991-08-20 US disclosed
US-5012007-A Method for producing 1-indanone derivatives HOECHST CELANESE CORPORATION, A CORP. OF DE 1991-04-30 US disclosed
EP-0421759-A2 Method for producing 1-indanone derivatives HOECHST CELANESE CORPORATION (US) 1991-04-10 EP disclosed
EP-0382077-A2 Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof BASF Aktiengesellschaft (DE) 1990-08-16 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-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, SAMHD1, DUT HSD17B3 888/4885KMT2A 1261/4885SMN1; SMN2 2676/4885
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML HSD17B3 4452/4885KMT2A 854/4885SMN1; SMN2 2894/4885
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 HSD17B3 2248/4885KMT2A 4166/4885SMN1; SMN2 2119/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC HSD17B3 2490/4885KMT2A 1610/4885SMN1; SMN2 4722/4885

“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.