SCHEMBL398940

SCHEMBL398940

CCC#Cc1ccc(Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 7/20 0.38
ALOX15 P16050 4/20 0.38
HSP90AA1 P07900 4/20 0.38
HIF1A Q16665 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX12 P18054 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HSPA5 P11021 2/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
HSPD1 P10809 1/20 0.38

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
SCHEMBL391198 0.78 CA3 (0.42) HSD17B10ALOX15HTTLMNAMAPT
SCHEMBL28773528 0.72 FFAR1 (0.40) HSD17B10CYP3A4ALDH1A1TSHRTDP1
SCHEMBL14092175 0.71 CYP2D6 (0.39) ALDH1A1TSHRSMN1; SMN2PGK1CYP2D6
SCHEMBL6116770 0.70 PGK1 (0.32) PGK1CYP2D6SLC6A2
SCHEMBL8333206 0.70 HSD17B10 (0.50) HSD17B10CYP3A4ALDH1A1TSHRTDP1
SCHEMBL4254480 0.70 HSD17B10 (0.50) HSD17B10CYP3A4ALDH1A1TSHRTDP1
SCHEMBL10979914 0.68 FSCN1 (0.36) CYP3A4ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL24543425 0.68 PGK1 (0.44) ALDH1A1HPGDMEN1KMT2AALOX12
SCHEMBL16380473 0.67 KCNH2 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1005910 0.66 HSD17B10 (0.50) HSD17B10CYP3A4ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
EP-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 WO 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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R HSD17B10 531/4885CYP3A4 880/4885ALDH1A1 2595/4885

“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.