SCHEMBL14838587

SCHEMBL14838587

C=CC1CCOC1(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL17192982 0.79 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL7550415 0.70 TSHR (0.35) LMNACYP3A4TSHR
SCHEMBL15927760 0.69 ALDH1A1 (0.34) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL7551220 0.68
SCHEMBL4524185 0.65 LMNA (0.46) LMNACYP3A4TSHR
SCHEMBL5323083 0.64 SLC6A2 (0.44) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL12020283 0.63 SLC6A2 (0.44) CHRM1SLC6A2SLC6A3KDM4ELMNA
SCHEMBL9133419 0.63 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3CHRNB2
SCHEMBL18979128 0.63 ACHE (0.36) SIGMAR1ALDH1A1LMNA
SCHEMBL7548459 0.62 TSHR (0.37) SLC6A2SLC6A3LMNACYP3A4TSHR

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-20150298111-A1 Ruthenium Or Osmium Complex, Method For Its Preparation And Use Thereof Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2015-10-22 US disclosed
WO-2013045876-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2013-04-04 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-20150298111-A1 Ruthenium Or Osmium Complex, Method For Its Preparation And Use Thereof OSTC, MRPL21, AP1M1 CHRM2 1323/4885CHRM4 1744/4885CHRM1 1301/4885

“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.