SCHEMBL3684491

SCHEMBL3684491

CCCCCCOC(=O)c1cc2c(cc1C(=O)OCCCCCC)C(=O)N(OC(C)=O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 3/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3673463 1.00 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3676153 1.00 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3681930 1.00 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3684001 1.00 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3675384 1.00 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3679340 1.00 TSHR (0.51) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3676146 0.99 TSHR (0.50) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3676803 0.95 TSHR (0.49) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3677491 0.89 ALDH1A1 (0.46) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL3675758 0.85 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1ESR1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741514-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst ISHII YASUTAKA 2006-12-14 US disclosed
US-7115541-B2 Catalyst comprising n-substituted cyclic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-03 US disclosed
EP-1338336-A1 CATALYSTS COMPRISING N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2003-08-27 EP disclosed
US-20030013603-A1 Catalyst comprising n-substituted cylic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-16 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-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 TSHR 2473/4885ALDH1A1 1638/4885LMNA 4170/4885

“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.