SCHEMBL1850273

SCHEMBL1850273

C1=CC(C2CC2)Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL28359865 0.87 HTR2C (0.39) RORCHTR2CHTR2BMEN1KMT2A
SCHEMBL30407118 0.86 KDM4E (0.35) ABCG2HTR2CHTR2BKDM4EMEN1
SCHEMBL1735849 0.79 ABCG2 (0.32) ABCG2HTR2CHTR2BKDM4EMEN1
SCHEMBL7048423 0.78
SCHEMBL9506276 0.77 ABCG2 (0.30) ABCG2
SCHEMBL29973138 0.76 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL30912029 0.75 CA2 (0.36)
SCHEMBL31412834 0.74 CHRNB4 (0.43) ABCG2
SCHEMBL670318 0.73 ALDH1A1 (0.45) RORCKDM4EALDH1A1
SCHEMBL5100128 0.72 KDM4E (0.30) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
EP-2323734-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR Schering Corporation (US) 2011-05-25 EP disclosed
WO-2010017120-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2010-02-11 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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR ADRA2C, ADRB2, ADRA2A RORC 188/4885ABCG2 279/4885HTR2C 12/4885

“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.