SCHEMBL451226

SCHEMBL451226

CC[CH]OC(=O)CCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.44
CES2 O00748 2/20 0.44
DGKA P23743 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
PAM P19021 2/20 0.39
CA1 P00915 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
MIF P14174 1/20 0.38
DNM1 Q05193 1/20 0.36

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
SCHEMBL450537 0.93 DGKA (0.52) CES1CES2DGKATSHRALDH1A1
SCHEMBL8896962 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8812077 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8895560 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8894824 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8894556 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL938866 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8893734 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8849361 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1
SCHEMBL8895726 0.91 DGKA (0.55) CES1CES2DGKATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2023-01-19 US disclosed
EP-3870234-B1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR SA (ES) 2022-12-21 EP disclosed
CN-115427081-A Drug antibody conjugates 法马马有限公司 2022-12-02 CN disclosed
EP-4025253-A1 DRUG ANTIBODY CONJUGATES Pharma Mar S.A. (ES) 2022-07-13 EP disclosed
CN-114615999-A Drug antibody conjugates 法马马有限公司 2022-06-10 CN disclosed
US-20220168436-A1 ANTIBODY DRUG CONJUGATES PHARMA MAR SA (ES) 2022-06-02 US disclosed
EP-0763053-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
WO-1995033761-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0545912-A2 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1993-06-09 EP disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 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-20220168436-A1 ANTIBODY DRUG CONJUGATES CD79B, OGFR, CD2 CES1 1419/4885CES2 1950/4885DGKA 3973/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL CES1 1910/4885CES2 2410/4885DGKA 2103/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA CES1 2540/4885CES2 2565/4885DGKA 3707/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 CES1 515/4885CES2 1874/4885DGKA 2469/4885

“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.