Sugi Predict

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SCHEMBL677268

SCHEMBL677268

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.38
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC1A1 P43005 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 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
SCHEMBL677269 1.00 TSHR (0.38) TSHRMAPTPOLBGAATDP1
SCHEMBL20786409 0.87 TSHR (0.37) TSHRMAPTPOLBGAATDP1
SCHEMBL20786417 0.87 TSHR (0.37) TSHRMAPTPOLBGAATDP1
SCHEMBL24696588 0.87 TSHR (0.37) TSHRMAPTPOLBGAATDP1
SCHEMBL8362449 0.87 SLC1A1 (0.50) SLC1A1SLC7A5GRM8GRM6GRIN2D
SCHEMBL22967364 0.85 KMT2A (0.50) POLBALDH1A1L3MBTL1
SCHEMBL22967338 0.85 KMT2A (0.50) POLBALDH1A1L3MBTL1
SCHEMBL24846081 0.85 KMT2A (0.50) POLBALDH1A1L3MBTL1
SCHEMBL24846912 0.85 KMT2A (0.50) POLBALDH1A1L3MBTL1
SCHEMBL22967362 0.85 KMT2A (0.50) POLBALDH1A1L3MBTL1

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
US-10357576-B2 18F-labelled folate/antifolate analogues MERECK & CIE (CH) 2019-07-23 — — US disclosed
US-20110281731-A1 Emulsifiable concentrate comprising a dinitroaniline compound RHODIA CHIMIE (FR) 2011-11-17 — — US disclosed
CN-1145645-C Solid titanium catalyst component for olefines polymerization, olefines polymerization catalyst, catalyst containing prepolymerized polyolefine and method for olefines polymerization ������ѧ��ʽ���� 2004-04-14 — — CN disclosed
CN-1274731-A Solid titanium catalyst component for olefines polymerization, olefines polymerization catalyst, catalyst containing prepolymerized polyolefine and method for olefines polymerization MITSUI CHEMICALS INC (JP) 2000-11-29 — — CN disclosed
CN-1043771-C Olefin polymerization catalyst MITSUI PETROCHEMICAL IND (JP) 1999-06-23 — — CN disclosed
CN-1057656-A Solid titanium catalyst component for olefin polymerization, olefin polymerization catalyst, prepolymerized polyolefin-containing catalyst, and process for olefin polymerization MITSUI PETROCHEMICAL IND (JP) 1992-01-08 — — CN 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-10357576-B2 18F-labelled folate/antifolate analogues FOLR1, FOLR2, SLC19A1 TSHR 106/4885MAPT 2832/4885POLB 1888/4885

“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.