SCHEMBL4228936

SCHEMBL4228936

CCCc1cc(CCC)c(-c2ccccc2P)c(CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX5 P09917 2/20 0.34
PDK2 Q15119 1/20 0.34
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
P2RY4 P51582 1/20 0.30

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
SCHEMBL24384347 0.77 P2RY4 (0.38) CNR1CNR2ALOX5PDK2ELANE
SCHEMBL28136231 0.74 MAPT (0.39) CNR1CNR2ALOX5
SCHEMBL18242210 0.73 MAPK1 (0.49) ELANECTSGP2RY4
SCHEMBL30355267 0.73 PDK2 (0.33) CNR1CNR2ALOX5PDK2
SCHEMBL2281008 0.73 PDK2 (0.33) CNR1CNR2ALOX5PDK2
SCHEMBL18869450 0.72 HEXA (0.40) ELANECTSG
SCHEMBL15655986 0.71 ELANE (0.36) PDK2ELANECTSG
SCHEMBL15748685 0.71 GABRA1 (0.42) ELANECTSGGABRA1GABRB2
SCHEMBL18614444 0.71 GPR3 (0.31)
SCHEMBL940845 0.71 TAAR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 CNR1 75/4885CNR2 469/4885ALOX5 537/4885

“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.