SCHEMBL4476728

SCHEMBL4476728

COCc1cccc(C(C)(C)CCl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.41
MAOB P27338 5/20 0.36
AGXT P21549 2/20 0.35
PKM P14618 1/20 0.35
FFAR1 O14842 1/20 0.34
TACR1 P25103 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1388427 0.83 TSHR (0.48) IDO1MAOBPKMTACR1
SCHEMBL20999089 0.82 ESR1 (0.47) IDO1MAOBAGXTFFAR1TACR1
SCHEMBL350082 0.82 IDO1 (0.46) IDO1MAOBAGXTTACR1
SCHEMBL26245888 0.79 CYP4F2 (0.46) IDO1MAOBFFAR1CYP1A2CYP2C19
SCHEMBL171782 0.77 IDO1 (0.68) IDO1MAOBHTR2AHTR2CHTR2B
SCHEMBL20795016 0.76 ESR1 (0.50) IDO1MAOBFFAR1
SCHEMBL20795882 0.75 IDO1 (0.43) IDO1MAOBAGXTFFAR1TACR1
SCHEMBL487468 0.74 IDO1 (0.48) IDO1MAOBAGXTFFAR1
SCHEMBL20999104 0.74 IDO1 (0.50) IDO1MAOBAGXTHTR2AHTR2C
SCHEMBL20347891 0.74 TSHR (0.46) IDO1MAOBAGXTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R IDO1 1110/4885MAOB 2962/4885AGXT 1490/4885

“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.