SCHEMBL6234595

SCHEMBL6234595

CC1(C)Cc2ccccc2C(Br)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1B P35368 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HBB P68871 1/20 0.36
HTR2A P28223 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH1 P35367 2/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL21287724 0.78 ALDH1A1 (0.56) SIGMAR1ALDH1A1MAPTADRA2AADRA2B
SCHEMBL23316500 0.77 SIGMAR1 (0.41) SIGMAR1ALDH1A1MAPTADRA2AADRA2B
SCHEMBL24665113 0.77 HTR2A (0.45) SIGMAR1ALDH1A1MAPTADRA2AADRA2B
SCHEMBL9733062 0.77 HTR2A (0.38) ALDH1A1ADRA2AADRA2BADRA2CTSHR
SCHEMBL27492616 0.73 SIGMAR1 (0.39) SIGMAR1ALDH1A1MAPTADRA2AADRA2B
SCHEMBL30259859 0.73 SIGMAR1 (0.39) SIGMAR1ALDH1A1MAPTADRA2AADRA2B
SCHEMBL27774757 0.72 SIGMAR1 (0.40) SIGMAR1ALDH1A1MAPTADRA2AADRA2B
SCHEMBL28202962 0.69 KDM4E (0.39) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL8707641 0.69 HTR1A (0.40) TSHRHTR2AHRH1
SCHEMBL5753005 0.68 MAPT (0.44) SIGMAR1ALDH1A1MAPTALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936636-B2 5-[phenyl-tetrahydronaphthalene-2-yl dihydronaphthalen-2-yl and heteroaryl-cyclopropyl]-pentadienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-08-30 US disclosed
WO-2005000784-A2 5-[PHENYL, TETRAHYDRONAPHTHALENE-2-YL DIHYDRONAPHTHALEN-2-YL AND HETEROARYL- CYCLOPROPYL]-PENTADIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. (US) 2005-01-06 WO disclosed
US-20050004213-A1 5-[phenyl-tetrahydronaphthalene-2-yl dihydronaphthalen-2-yl and heteroaryl-cyclopropyl]-pentadienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. 2005-01-06 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-20050004213-A1 5-[phenyl-tetrahydronaphthalene-2-yl dihydronaphthalen-2-yl and heteroaryl-cyclopropyl]-pentadienoic acid derivatives having serum glucose reducing activity PNLIP, TPO, MTTP SIGMAR1 3820/4885ALDH1A1 557/4885MAPT 3687/4885

“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.