SCHEMBL7602109

SCHEMBL7602109

COC(=O)C(C)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ESRRB O95718 1/20 0.39
ALDH1A1 P00352 1/20 0.37
FOLH1 Q04609 1/20 0.36
ECE1 P42892 3/20 0.35
CA12 O43570 1/20 0.34
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
BIRC2 Q13490 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27389325 0.80 SMN1; SMN2 (0.42) CA14SMN1; SMN2ESRRBALDH1A1CA12
SCHEMBL16244259 0.79 ALOX15 (0.42) CA14SMN1; SMN2FOLH1CA12TSHR
SCHEMBL17863553 0.79 ESRRB (0.38) CA14SMN1; SMN2ESRRBALDH1A1CA12
SCHEMBL28146089 0.79 ALOX15 (0.48) ALDH1A1KMT2ATSHRALOX15MEN1
SCHEMBL1878449 0.78 TSHR (0.43) CA14SMN1; SMN2ESRRBCA12KMT2A
SCHEMBL5019083 0.78 ESRRB (0.44) CA14SMN1; SMN2ESRRBCA12KMT2A
SCHEMBL457924 0.78 ESRRB (0.44) CA14SMN1; SMN2ESRRBCA12KMT2A
SCHEMBL2577494 0.78 ESRRB (0.44) CA14SMN1; SMN2ESRRBCA12KMT2A
SCHEMBL8214569 0.78 ALDH1A1 (0.48) CA14SMN1; SMN2ESRRBALDH1A1CA12
SCHEMBL186433 0.78 TSHR (0.43) CA14SMN1; SMN2ESRRBCA12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727422-B1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO (JP) 2002-12-04 EP claimed
US-5618953-A Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1997-04-08 US claimed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP claimed
JP-10067764-A None JP disclosed
JP-8291157-A None JP disclosed
JP-8217769-A None JP disclosed
EP-3362518-B1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS THE UWM RES FOUNDATION INC (US) 2022-04-27 EP disclosed
WO-2017066672-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS UWM RESEARCH FOUNDATION, INC. (US) 2017-04-20 WO disclosed
US-20110065047-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICHAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
EP-0727422-B1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO (JP) 2002-12-04 EP disclosed
JP-H1067764-A PRODUCTION OF 3-METHYLTETRAHYDROFURAN MITSUBISHI GAS CHEM CO INC 1998-03-10 JP disclosed
US-5618953-A Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1997-04-08 US disclosed
US-5618953-A Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1997-04-08 US disclosed
JP-H08291157-A PRODUCTION OF NEW 3-METHYLTETRAHYDROFURAN MITSUBISHI GAS CHEM CO INC 1996-11-05 JP disclosed
JP-H08217769-A PRODUCTION OF 3-METHYLTETRAHYDROFURAN MITSUBISHI GAS CHEM CO INC 1996-08-27 JP disclosed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP disclosed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 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 (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-20110065047-A1 PHOTORESIST COMPOSITION C1R, C1S, RER1 CA14 4204/4885SMN1; SMN2 4402/4885ESRRB 2490/4885

“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.