SCHEMBL451400

SCHEMBL451400

CCC[CH]OC(=O)OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS1 P23219 1/20 0.35
APEX1 P27695 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.31

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
SCHEMBL451856 0.86 TSHR (0.45) TSHRALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL8694241 0.83 CA12 (0.36) TSHRALDH1A1LMNAKMT2ATDP1
SCHEMBL449195 0.81 ALDH1A1 (0.52) ALDH1A1LMNAMAPT
SCHEMBL451518 0.79 HCAR2 (0.41) TSHRALDH1A1LMNATDP1
SCHEMBL452702 0.79
SCHEMBL452058 0.78 LMNA (0.38) TSHRLMNA
SCHEMBL304126 0.77 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7417774 0.77 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL2907671 0.77 TSHR (0.34) TSHRALDH1A1
SCHEMBL450231 0.76 ATM (0.50) TSHRALDH1A1CYP1A2CYP2C19LMNA

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 223 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
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
US-11224663-B2 Antibody drug conjugates PHARMA MAR, S.A. (ES) 2022-01-18 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 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-0573218-A2 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO COMPANY LIMITED (JP) 1993-12-08 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 (5 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 TSHR 312/4885ALDH1A1 501/4885CYP3A4 629/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL TSHR 1530/4885ALDH1A1 785/4885CYP3A4 1769/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA TSHR 1620/4885ALDH1A1 1158/4885CYP3A4 4050/4885
US-11224663-B2 Antibody drug conjugates CD79B, OGFR, CD22 TSHR 290/4885ALDH1A1 735/4885CYP3A4 573/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 TSHR 1572/4885ALDH1A1 162/4885CYP3A4 1481/4885

“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.