SCHEMBL5654827

SCHEMBL5654827

COC(=O)CCc1cn(C(=O)c2ccccc2I)c2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
AKR1C3 P42330 11/20 0.52
MTNR1A P48039 5/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1C2 P52895 5/20 0.45
AKR1C4 P17516 1/20 0.45
PTGS1 P23219 1/20 0.45
MTNR1B P49286 4/20 0.45
NQO2 P16083 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 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
SCHEMBL3025302 0.85 HTR6 (0.73) HTR6AKR1C3MTNR1AKDM4EALDH1A1
SCHEMBL3018944 0.79 HTR6 (0.53) HTR6AKR1C3MTNR1AKDM4EALDH1A1
SCHEMBL4811932 0.78 HTR6 (0.53) HTR6AKR1C3MTNR1AKDM4EALDH1A1
SCHEMBL3032670 0.78 HTR6 (0.52) HTR6AKR1C3MTNR1AKDM4EALDH1A1
SCHEMBL15242222 0.77 MTNR1A (0.70) HTR6MTNR1AALDH1A1MTNR1BNQO2
SCHEMBL3029516 0.76 HTR6 (0.76) HTR6AKR1C3MTNR1AKDM4EALDH1A1
SCHEMBL3036311 0.74 MTNR1A (0.74) HTR6MTNR1AALDH1A1MTNR1BPPARG
SCHEMBL5768425 0.73 HTR6 (0.74) HTR6MTNR1A
SCHEMBL3030043 0.73 PPARG (0.75) HTR6PPARGPPARDPPARA
SCHEMBL24878466 0.72 HTR6 (0.53) HTR6AKR1C3MTNR1AAKR1C2AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 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-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885AKR1C3 3189/4885MTNR1A 488/4885

“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.