SCHEMBL4807936

SCHEMBL4807936

CC(C)C(C=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CTSB P07858 2/20 0.43
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 1/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL4807929 1.00 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4804204 0.84 MEN1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4807594 0.84 MEN1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4804207 0.84 MEN1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL28563227 0.83 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL28557184 0.83 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL10509033 0.83 CYP2C19 (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL10507262 0.83 CYP2C19 (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL10507825 0.83 CYP2C19 (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL10507303 0.83 CYP2C19 (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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
EP-2133342-A1 PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR, PREPARATION METHODS AND USES THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2009-12-16 EP disclosed
US-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 US disclosed
CN-1033584-C Benzo-fused lactams that promote release of growth hormone MERCK & CO INC (US) 1996-12-18 CN disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
CN-1066070-A Promote the new benzo-fused lactams that tethelin discharges MERCK & CO INC (US) 1992-11-11 CN disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-4107183-A Synthesis of optically active carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1978-08-15 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 (1 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV SLC1A3 2824/4885SLC1A2 2967/4885SLC1A1 2511/4885

“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.