SCHEMBL21036063

SCHEMBL21036063

c1ccc2c(c1)sc1cc(-c3ccc4c(c3)c3ccccc3c3c5ccccc5c5ccccc5c43)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LIMK1 P53667 1/20 0.35
ALOX15 P16050 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PIM3 Q86V86 1/20 0.34
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL21036062 1.00 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL25081650 0.98 ALDH1A1 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL21035266 0.98 ALDH1A1 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL21035268 0.95 ALDH1A1 (0.47) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL21036064 0.95 ALDH1A1 (0.47) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL25082032 0.95 ALDH1A1 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL25082034 0.95 ALDH1A1 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30911275 0.94 GPR3 (0.58) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL12175603 0.94 GPR3 (0.58) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL31017615 0.94 GPR3 (0.58) GPR3ALDH1A1MAPTRAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096132-A1 CYCLOALKANE-FUSED POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-03-30 US disclosed
US-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-05-30 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 (2 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-20230096132-A1 CYCLOALKANE-FUSED POLYCYCLIC AROMATIC COMPOUND LAGE3, ELOC, ELOB GPR3 3023/4885ALDH1A1 3540/4885MAPT 2442/4885
US-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT TCF4, LGR4, OR51E2 GPR3 1218/4885ALDH1A1 583/4885MAPT 2709/4885

“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.