SCHEMBL358441

SCHEMBL358441

CCCC(CCC)C(=O)OC(=O)C(CCC)CCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
CHRM1 P11229 2/20 0.55
CHRM3 P20309 2/20 0.55
ADRA1A P35348 2/20 0.55
AKR1A1 P14550 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HRH1 P35367 1/20 0.55
DRD3 P35462 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
NFKB1 P19838 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HDAC7 Q8WUI4 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48

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
SCHEMBL27500646 0.97 HDAC1 (0.52) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL30670303 0.90 CA2 (0.54) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL20370240 0.89 CA2 (0.48) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL15605564 0.87 HDAC1 (0.54) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL11313170 0.87 TDP1 (0.48) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL2166839 0.87 HDAC1 (0.48) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL3857579 0.87 CA2 (0.52) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL11160145 0.85 CHRM1 (0.41) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL6899453 0.85 CA2 (0.66) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL28413287 0.84 HDAC1 (0.44) HDAC1HDAC2CHRM1CHRM3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230981-B The preparation method of valproic acid phospholipid derivative JIANGSU NHWA PHARMACEUTICAL CO., LTD. (CN) 2016-05-18 CN claimed
CN-104230981-A Preparation method of valproic acid phospholipid derivative JIANGSU NHWA PHARMACEUTICAL CO LTD 2014-12-24 CN claimed
CN-103416943-A Method and apparatus for quickly cleaning and cleansing hair LIN BINGSONG 2013-12-04 CN claimed
US-20070219164-A1 Pharmaceutical compound and method MEDIPHARMA S.A. (AR) 2007-09-20 US claimed
EP-0202703-B1 PHARMACEUTICAL COMPOSITIONS OF THE PRODRUG TYPE, A PROCESS FOR THE PREPARATION THEREOF, A PROCESS FOR THE PREPARATION OF THEM AS PRODRUG FUNCTIONING COMPOUNDS AND COMPOUNDS OBTAINED THEREIN N.V. Gantax Pharmaceutica (BE) 1989-08-09 EP claimed
EP-0202703-A1 Pharmaceutical compositions of the prodrug type, a process for the preparation thereof, a process for the preparation of them as prodrug functioning compounds and compounds obtained therein N.V. Gantax Pharmaceutica (BE) 1986-11-26 EP claimed
US-20240216514-A1 NOVEL ANTITUMOR COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE KLOTHO THERAPEUTICS, INC. 2024-07-04 US disclosed
CN-117414309-B Ginsenoside composition, daily chemical and application 茵素科技(广州)有限公司 2024-06-25 CN disclosed
CN-116355023-B Platinum complex containing camptothecine and preparation method and application thereof 重庆医科大学 2024-05-24 CN disclosed
CN-116355023-A Platinum complex containing camptothecine and preparation method and application thereof 重庆医科大学 2023-06-30 CN disclosed
WO-2022217255-A1 NOVEL ANTITUMOR COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE KLOTHO THERAPEUTICS, INC. (US) 2022-10-13 WO disclosed
CN-114903028-A Erythrocyte cryoprotectant and preparation method and application thereof 华南理工大学 2022-08-16 CN disclosed
CN-114514264-A Liquid crystal polyester powder and method for producing liquid crystal polyester solution composition 住友化学株式会社 2022-05-17 CN disclosed
EP-0886647-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-12-30 EP disclosed
WO-1997031937-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
US-4863965-A Ibuprofen acid anhydrides and prodrug pharmaceutical composition containing the same B.V.B.A. INPHARM (BE) 1989-09-05 US disclosed
EP-0202703-B1 PHARMACEUTICAL COMPOSITIONS OF THE PRODRUG TYPE, A PROCESS FOR THE PREPARATION THEREOF, A PROCESS FOR THE PREPARATION OF THEM AS PRODRUG FUNCTIONING COMPOUNDS AND COMPOUNDS OBTAINED THEREIN N.V. Gantax Pharmaceutica (BE) 1989-08-09 EP disclosed
EP-0202703-A1 Pharmaceutical compositions of the prodrug type, a process for the preparation thereof, a process for the preparation of them as prodrug functioning compounds and compounds obtained therein N.V. Gantax Pharmaceutica (BE) 1986-11-26 EP disclosed
US-4261987-A ANTICONVULSANTS GEROT PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1981-04-14 US disclosed
US-3951995-A ANTICONVULSANTS, BARBITURATE POTENTIATION LABORATORIOS MADE, S.A. (ES) 1976-04-20 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-20070219164-A1 Pharmaceutical compound and method GRIK5, PPIP5K2, GRIN2C HDAC1 61/4885HDAC2 10/4885CHRM1 1792/4885
US-20240216514-A1 NOVEL ANTITUMOR COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE BID, TBCA, PTBP3 HDAC1 1082/4885HDAC2 1518/4885CHRM1 4860/4885

“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.