SCHEMBL6482271

SCHEMBL6482271

CCCCCOc1cc(OC)ccc1CN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
APLNR P35414 1/20 0.42
TSHR P16473 1/20 0.42
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PLA2G2A P14555 1/20 0.41
HTR2B P41595 1/20 0.41
AHR P35869 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13837266 0.89 TSHR (0.51) CNR2MEN1ALDH1A1KMT2ATSHR
SCHEMBL29746459 0.89 TSHR (0.51) CNR2MEN1ALDH1A1KMT2ATSHR
SCHEMBL319525 0.89 TSHR (0.51) CNR2MEN1ALDH1A1KMT2ATSHR
SCHEMBL13837222 0.86 CNR1 (0.42) CNR1CNR2MEN1ALDH1A1KMT2A
SCHEMBL9809277 0.83 APLNR (0.47) ALDH1A1APLNRADRA1ATAAR1HTR2B
SCHEMBL2017497 0.83 CNR2 (0.53) CNR1CNR2MEN1ALDH1A1KMT2A
SCHEMBL2844258 0.80 CNR2 (0.50) CNR1CNR2MEN1ALDH1A1KMT2A
SCHEMBL23001571 0.80 APLNR (0.56) CNR1CNR2MEN1ALDH1A1KMT2A
SCHEMBL17594055 0.80 POLB (0.50) CNR1CNR2CYSLTR2CYSLTR1TSHR
SCHEMBL153750 0.79 APLNR (0.63) MEN1ALDH1A1KMT2AAPLNRADRA1A

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-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R CNR1 349/4885CNR2 435/4885MEN1 4557/4885

“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.