SCHEMBL3671448

SCHEMBL3671448

CCOC(=O)C(C)(CN)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
MMP8 P22894 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KCNN4 O15554 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL539076 0.86 PIN1 (0.51) PIN1MMP8POLBALDH1A1RECQL
SCHEMBL31455095 0.85 CYP1A2 (0.49) PIN1MMP8ALDH1A1RECQLMAPT
SCHEMBL27564031 0.85 PIN1 (0.50) PIN1MMP8POLBALDH1A1RECQL
Hydrochloric Acid SCHEMBL17825610 0.84 MAPT (0.43) NPSR1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL27846451 0.83 PIN1 (0.49) PIN1MMP8POLBALDH1A1RECQL
SCHEMBL28084453 0.83 PIN1 (0.49) PIN1MMP8POLBALDH1A1RECQL
SCHEMBL19797979 0.83 KCNN4 (0.46) PIN1POLBALDH1A1NPSR1MAPT
SCHEMBL17825617 0.83 KCNN4 (0.56) TAAR1ALDH1A1RECQLCHRM2CHRM4
SCHEMBL21656355 0.82 KDM4E (0.46) POLBALDH1A1NPSR1MAPTKMT2A
SCHEMBL14510428 0.81 PIN1 (0.50) PIN1MMP8TAAR1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3850022-A1 COMPOSITE MATERIALS INCLUDING CERAMIC FIBERS AND NANOCLUSTERS, DENTAL PRODUCTS, KITS, AND METHODS OF MAKING AND USING SAME 3M Innovative Properties Company (US) 2021-07-21 EP disclosed
WO-2020053723-A1 COMPOSITE MATERIALS INCLUDING CERAMIC FIBERS AND NANOCLUSTERS, DENTAL PRODUCTS, KITS, AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-03-19 WO disclosed
CN-104470895-B The purposes of N [3 (2 carboxy ethyl) phenyl] piperidinyl-1 yl acetamide derivatives and its activator as soluble guanylate cyclase 拜耳制药股份公司 2017-04-05 CN disclosed
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20070112199-A1 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-05-17 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-20070112199-A1 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts AKR1C2, AKR1A1, AKR1B1 PIN1 362/4885MMP8 2537/4885TAAR1 2165/4885

“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.