Sugi Predict

Sugi Predict / Compounds / SCHEMBL1977280

SCHEMBL1977280

SCHEMBL1977280

CC(=O)CC(C(C)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP2C19 P33261 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PCSK7 Q16549 1/20 0.42
▸ VKORC1 Q9BQB6 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL2915594 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL2915242 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL20342100 0.88 GABBR2 (0.50) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL5918571 0.88 GABBR2 (0.50) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL9765836 0.88 HPGD (0.46) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL25575127 0.88 GABBR2 (0.50) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL12294610 0.88 SMN1; SMN2 (0.54) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL3876478 0.88 SMN1; SMN2 (0.54) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL12294613 0.88 SMN1; SMN2 (0.54) ALDH1A1KDM4EMAPTCYP2C19EPHX1
SCHEMBL11339576 0.85 MTNR1A (0.42) ALDH1A1KDM4EMAPTCYP2C19EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130249-A1 ELECTROLYTE, SECONDARY BATTERY USING SAME, BATTERY MODULE, BATTERY PACK, AND ELECTRICAL DEVICE 宁德时代新能源科技股份有限公司 2023-07-13 — — WO disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-20130109721-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2013-05-02 — — US disclosed
US-20130109721-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2013-05-02 — — US disclosed
US-20130109721-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2013-05-02 — — US disclosed
US-8309742-B2 Use of the PigD protein for catalyzing 1,4-additions of 2-oxoalkanoates to α, β-unsaturated ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-11-13 — — US disclosed
US-8309742-B2 Use of the PigD protein for catalyzing 1,4-additions of 2-oxoalkanoates to α, β-unsaturated ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-11-13 — — US disclosed
EP-2516416-A1 CRTH2 MODULATORS Ironwood Pharmaceuticals, Inc. (US) 2012-10-31 — — EP disclosed
EP-2142657-B1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES UNIV ALBERT LUDWIGS FREIBURG (DE) 2010-09-01 — — EP disclosed
EP-2142657-B1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES UNIV ALBERT LUDWIGS FREIBURG (DE) 2010-09-01 — — EP disclosed
EP-2142657-A1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES Albert-Ludwigs-Universität Freiburg (DE) 2010-01-13 — — EP disclosed
WO-2008138450-A1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2008-11-20 — — WO disclosed
CN-1094503-C Working fluid for refrigerating cycle equipment and refrigerating cycle equipment using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2002-11-20 — — CN disclosed
US-6197211-B1 REFRIGERANT COMPRESSION-TYPE CONTAINING THE REFRIGERANT COMPRISING A HALOGEN-FREE HYDROCARBON OF 2-4 CARBONS AND A REFRIGERATION LUBRICANT COMPRISING, AS A MAIN COMPONENT, A POLYKETONE INCOMPATIBLE WITH THE REFRIGERANT MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2001-03-06 — — US disclosed
CN-1235184-A Working fluid for refrigerating cycle equipment and refrigerating cycle equipment using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1999-11-17 — — CN disclosed
US-4156603-A COMPLEXED WITH A POLYFUNCTIONAL LEWIS BASE EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-29 — — US disclosed
US-4147530-A Reductions of inorganic substrates with chelated sodium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1979-04-03 — — US disclosed
US-4088666-A Reductions with chelated lithium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1978-05-09 — — 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-20130109721-A1 FAAH Inhibitors FAAH, FAAH2, FAH ALDH1A1 399/4885KDM4E 1301/4885MAPT 4105/4885

“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.