SCHEMBL6581020

SCHEMBL6581020

COC(=O)C[C@H](CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 2/20 0.55
FNTA P49354 3/20 0.51
FNTB P49356 3/20 0.51
ITGB3 P05106 3/20 0.47
ITGAV P06756 3/20 0.47
FFAR1 O14842 3/20 0.47
LMNA P02545 4/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL6581023 1.00 ALDH1A1 (0.55) ALDH1A1MAPTHTTFNTAFNTB
SCHEMBL6581305 1.00 ALDH1A1 (0.55) ALDH1A1MAPTHTTFNTAFNTB
SCHEMBL6578974 0.93 ALDH1A1 (0.60) ALDH1A1MAPTHTTFNTAFNTB
SCHEMBL658678 0.87 FNTA (0.50) ALDH1A1MAPTHTTFNTAFNTB
SCHEMBL660764 0.86 FNTA (0.54) MAPTFNTAFNTBITGB3ITGAV
SCHEMBL18110925 0.85 HTT (0.56) ALDH1A1MAPTHTTFFAR1LMNA
SCHEMBL12268202 0.85 ALDH1A1 (0.61) ALDH1A1MAPTFNTAFNTBGAA
SCHEMBL1811811 0.85 ALDH1A1 (0.61) ALDH1A1MAPTFNTAFNTBGAA
Hydrochloric Acid SCHEMBL7334847 0.84 FNTA (0.52) MAPTFNTAFNTBITGB3ITGAV
SCHEMBL12268213 0.84 GABBR2 (0.61) ALDH1A1MAPTFNTAFNTBITGB3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113564144-B Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2025-04-04 CN disclosed
CN-118956817-A Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2024-11-15 CN disclosed
CN-113564144-A Lipase mutant and application thereof 上海奥博生物医药技术有限公司 2021-10-29 CN disclosed
EP-0986389-B1 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2004-10-13 EP disclosed
US-20040147754-A1 Novel process SMITHKLINE BEECHAM PLC 2004-07-29 US disclosed
US-6716985-B2 ALCOHOLISM, PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-06 US disclosed
US-6489347-B1 NOVEL INTERMEDIATE CARBOXALDEHYDES FOR PHARMACEUTICAL PRODUCTS WITH ANTIDEPRESSANT AND ANTI-PARKINSON PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2002-12-03 US disclosed
US-20020133011-A1 Novel process SMITHKLINE BEECHAM PLC 2002-09-19 US disclosed
EP-0986389-A4 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2001-09-12 EP disclosed
EP-0986389-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-22 EP disclosed
WO-1998053824-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-03 WO 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-20020133011-A1 Novel process HTR1A, HTR4, MAOA ALDH1A1 900/4885MAPT 1827/4885HTT 941/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B ALDH1A1 1013/4885MAPT 2512/4885HTT 1281/4885

“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.