SCHEMBL25835992

SCHEMBL25835992

CN1CCN(CC(=O)OCc2ccccc2)CC1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
RAB9A P51151 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25836000 0.89 PPARG (0.43) ALDH1A1MAPK1L3MBTL1SIGMAR1SMN1; SMN2
SCHEMBL20133538 0.81 PARP1 (0.49) SIGMAR1TMEM97MEN1KMT2A
SCHEMBL22904459 0.81 PARP1 (0.49) SIGMAR1TMEM97MEN1KMT2A
SCHEMBL20133557 0.81 PARP1 (0.49) SIGMAR1TMEM97MEN1KMT2A
SCHEMBL1842614 0.80 SMN1; SMN2 (0.53) SIGMAR1SMN1; SMN2CHRNB2CHRNA5CHRNA7
SCHEMBL24251635 0.80 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PPARG
SCHEMBL19695791 0.80 SIGMAR1 (0.52) ALDH1A1SIGMAR1MEN1POLBKMT2A
SCHEMBL1127697 0.79 PPARG (0.58) ALDH1A1MAPK1L3MBTL1SIGMAR1SMN1; SMN2
SCHEMBL15007881 0.79 HSD11B1 (0.36) ALDH1A1MAPK1POLB
SCHEMBL7362472 0.78 CHRM1 (0.45) ALDH1A1MAPK1L3MBTL1SIGMAR1SMN1; SMN2

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 ALDH1A1 2690/4885MAPK1 437/4885L3MBTL1 2714/4885

“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.