SCHEMBL12778357

SCHEMBL12778357

CC1=Cc2ccc(Br)cc2CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.37
SRD5A1 P18405 3/20 0.36
PNMT P11086 3/20 0.36
ASIC3 Q9UHC3 1/20 0.36
SRD5A2 P31213 1/20 0.36
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP19A1 P11511 2/20 0.33
TYMS P04818 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL2973732 0.82 ALDH1A1 (0.37) HSD17B3PNMTASIC3ADRA2AADRA2B
SCHEMBL13239080 0.79 SRD5A1 (0.37) SRD5A1PARP10PARP11CYP11B1CYP11B2
SCHEMBL14613178 0.76 CASP1 (0.41) HSD17B3CYP11B1CYP11B2
SCHEMBL16532176 0.76 SRD5A1 (0.40) HSD17B3SRD5A1PNMTASIC3SRD5A2
SCHEMBL26233911 0.76 ADRA2A (0.36) PNMTADRA2AADRA2BADRA2CCYP11B1
SCHEMBL24022797 0.76 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL806484 0.72 CYP11B1 (0.50) PNMTCYP11B1CYP11B2CYP19A1
SCHEMBL18144799 0.72 CYP11B1 (0.51) SRD5A1PNMTASIC3SRD5A2TDP1
SCHEMBL12812833 0.71 NPC1 (0.49)
SCHEMBL5029738 0.70 KDM1A (0.46) ADRA2ACYP11B1CYP11B2CYP19A1HTR2A

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-7902191-B2 Histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY 2007-07-05 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-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 HSD17B3 1495/4885SRD5A1 2867/4885PNMT 264/4885

“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.