SCHEMBL10186703

SCHEMBL10186703

CCCCc1cc(CNC2CC2)cc(OCCCSC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
IL6 P05231 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT3 P36888 3/20 0.32
TYRO3 Q06418 3/20 0.32
MERTK Q12866 3/20 0.32
GAS6 Q14393 3/20 0.32
AXL P30530 1/20 0.32

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
SCHEMBL8251206 0.90 ALDH1A1 (0.35) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL10186691 0.83 ALDH1A1 (0.43) CNR1CNR2ALDH1A1TSHRPOLB
SCHEMBL8234940 0.81 CNR1 (0.40) CNR1CNR2IL6TLR7ALDH1A1
SCHEMBL10186705 0.79 SIGMAR1 (0.40) TLR7ALDH1A1POLBLMNAGAA
SCHEMBL10186702 0.78 ALDH1A1 (0.40) CNR1CNR2IL6TLR7ALDH1A1
SCHEMBL10186694 0.77 CNR1 (0.34) CNR1CNR2IL6TLR7ALDH1A1
SCHEMBL664743 0.75 ALDH1A1 (0.43) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL88993 0.75 ALDH1A1 (0.40) IL6TLR7ALDH1A1TSHRPOLB
SCHEMBL663467 0.72 ALDH1A1 (0.44) ALDH1A1TSHRPOLBL3MBTL1MEN1
SCHEMBL8250680 0.70 SIGMAR1 (0.38) ALDH1A1POLBGAAHPGDKDM4E

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 CNR1 3491/4885CNR2 3812/4885IL6 3063/4885

“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.