SCHEMBL21758076

SCHEMBL21758076

CCc1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
CES1 P23141 1/20 0.42
KDM4E B2RXH2 3/20 0.42
PDK2 Q15119 1/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL7831805 0.90 L3MBTL1 (0.64) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL5684329 0.85 SRD5A1 (0.45) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5357579 0.85 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL16064651 0.81 SRD5A1 (0.51) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL29809412 0.81 SRD5A1 (0.47) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL16044075 0.81 SRD5A1 (0.47) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL7662248 0.79 SRD5A1 (0.42) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL12514886 0.79 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL8458964 0.78 SRD5A1 (0.49) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL14711693 0.78 SRD5A1 (0.45) RAB9ANPC1ALDH1A1MAPK1SMN1; 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-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-02-27 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-20200061039-A1 PYRIDINONE COMPOUND AND USE THEREOF DOCK5, DOCK2, CIB1 RAB9A 533/4885NPC1 3370/4885ALDH1A1 49/4885

“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.