SCHEMBL1825440

SCHEMBL1825440

C=CCN(CC=C)c1ccc(N(CC=C)CCCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.38
CNR2 P34972 7/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
KDM4A O75164 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
CNR1 P21554 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL6843923 0.98 CNR2 (0.37) CHKACNR2RXRARXRBRXRG
SCHEMBL6694379 0.93 BDKRB2 (0.35) CHKACNR2RXRARXRBRXRG
SCHEMBL460361 0.90 CYP3A4 (0.47) CHKACNR2RXRARXRBRXRG
SCHEMBL8520351 0.89 NPC1 (0.42) CNR2RXRARXRBRXRGTSHR
SCHEMBL9748667 0.87 ALDH1A1 (0.54) CNR2GAACNR1CHRM2CHRM4
Hydrochloric Acid SCHEMBL9879754 0.86 ALDH1A1 (0.53) CNR2GAACNR1CHRM2CHRM4
SCHEMBL20871442 0.86 CNR2 (0.47) CNR2TSHRCNR1
SCHEMBL11665982 0.85 ALOX5 (0.45) CNR2TSHR
SCHEMBL9336222 0.83 ICMT (0.40) CNR2GAATSHR
SCHEMBL1459455 0.80 EGFR (0.44) CNR2TSHRCHRM2CHRM4CHRM5

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
EP-2494013-B1 LUBRICATION AND LUBRICATING OIL COMPOSITIONS CHEMTURA CORP (US) 2013-09-18 EP disclosed
US-20110105374-A1 Lubrication and lubricating oil compositions CROMPTON HOLDING CORPORATION 2011-05-05 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-20110105374-A1 Lubrication and lubricating oil compositions CD99, CTR9, TAF9 CHKA 87/4885CNR2 2292/4885RXRA 3261/4885

“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.