SCHEMBL10186702

SCHEMBL10186702

CCCCc1cc(CNC2CC2)cc(CCCOC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MITF O75030 1/20 0.36
IL6 P05231 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
HRH4 Q9H3N8 1/20 0.36
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35

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
SCHEMBL663467 0.95 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL661943 0.86 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPOLBCNR1
SCHEMBL664743 0.86 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL10186691 0.84 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EPOLBCNR1
SCHEMBL1518539 0.80 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EPOLBCNR1
SCHEMBL8251206 0.80 ALDH1A1 (0.35) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL664766 0.79 ALDH1A1 (0.34) ALDH1A1TSHRKDM4EPOLBCNR2
SCHEMBL10186703 0.78 CNR1 (0.34) ALDH1A1TSHRKDM4EPOLBCNR1
SCHEMBL88993 0.78 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL10186694 0.76 CNR1 (0.34) ALDH1A1TSHRKDM4EPOLBCNR1

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 ALDH1A1 2104/4885TSHR 2526/4885KDM4E 3884/4885

“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.