SCHEMBL10186691

SCHEMBL10186691

CCCCc1cc(CNC2CC2)cc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 5/20 0.39
MITF O75030 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
CNR2 P34972 1/20 0.36
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 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
SCHEMBL664743 0.88 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL10186702 0.84 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL10186703 0.83 CNR1 (0.34) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL10186694 0.83 CNR1 (0.34) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL8234940 0.79 CNR1 (0.40) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL10186705 0.78 SIGMAR1 (0.40) ALDH1A1KDM4EPOLBKCNH2
SCHEMBL663467 0.78 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL89627 0.77 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL88993 0.75 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL8251206 0.75 ALDH1A1 (0.35) ALDH1A1TSHRKDM4EPOLBL3MBTL1

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.