SCHEMBL12045765

SCHEMBL12045765

CCCc1ccc(CCC)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
SIGMAR1 Q99720 7/20 0.43
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL15107838 0.89 CNR1 (0.44) ALOX5CNR2CNR1SIGMAR1PNMT
SCHEMBL16958596 0.86 ALOX5 (0.40) ALOX5CNR2CNR1SIGMAR1GABRA1
SCHEMBL7637395 0.83 CNR1 (0.45) ALOX5CNR2CNR1SIGMAR1PNMT
SCHEMBL429772 0.82 PNMT (0.61) CNR2CNR1SIGMAR1PNMTTAAR1
SCHEMBL9398814 0.80 SIGMAR1 (0.46) ALOX5SIGMAR1GLASMN1; SMN2MEN1
SCHEMBL426435 0.80 IDO1 (0.56) CNR1SMN1; SMN2ALDH1A1TP53CYP1A2
SCHEMBL9740304 0.79 CNR1 (0.50) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL9399168 0.79 ESR1 (0.47) SIGMAR1ALDH1A1TP53LPLLIPG
SCHEMBL8338503 0.78 SIGMAR1 (0.47) CNR2CNR1SIGMAR1PNMTTAAR1
Hydrochloric Acid SCHEMBL7988970 0.78 IDO1 (0.54) CNR1SMN1; SMN2ALDH1A1TP53CYP1A2

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-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 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-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS PARN, ITGAM, PARG ALOX5 1608/4885CNR2 2972/4885CNR1 3985/4885

“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.