SCHEMBL5077424

SCHEMBL5077424

CCCCCCCCCCOC(=O)c1cc2c(cc1C(=O)OCCCCCCCCCC)C(=O)N(O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ESR1 P03372 3/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5077431 1.00 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL2243440 1.00 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL6029882 1.00 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL5080112 1.00 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL5083670 1.00 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL5080126 1.00 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL2238417 0.98 TSHR (0.55) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL5079224 0.83 ALDH1A1 (0.66) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL3684491 0.83 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3676153 0.83 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53

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-1238704-B1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEM (JP) 2015-01-21 EP disclosed
US-7368615-B2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-06 US disclosed
US-20060036100-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst ISHII YASUTAKA 2006-02-16 US disclosed
US-6998491-B2 Catalyst comprising a cyclic imide compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-02-14 US disclosed
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-12 US disclosed
EP-1238704-A2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst Daicel Chemical Industries, Ltd. (JP) 2002-09-11 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 (2 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-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 TSHR 3340/4885ALDH1A1 1339/4885LMNA 3854/4885
US-20060036100-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, NOX1, POR TSHR 3276/4885ALDH1A1 1439/4885LMNA 3862/4885

“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.