SCHEMBL4130358

SCHEMBL4130358

C1=CC(c2cc3ccccc3cn2)=CCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 5/20 0.44
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 3/20 0.41
BTK Q06187 1/20 0.40
CYP2A6 P11509 1/20 0.39
PDPK1 O15530 1/20 0.39
GRM4 Q14833 1/20 0.37
MIF P14174 1/20 0.35
HTR3A P46098 1/20 0.34
NPY5R Q15761 1/20 0.34
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
PLAU P00749 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5470573 0.73 NPC1 (0.63) TDP1NPC1CYP1A2KDM4ERAB9A
SCHEMBL14727985 0.73
SCHEMBL14727987 0.73 CYP2A6 (0.35) CYP1A2CYP2A6
SCHEMBL14727986 0.73 TRPM4 (0.33)
SCHEMBL21975337 0.72 ASIC3 (0.46) TDP1NPC1CYP1A2RAB9AMIF
SCHEMBL22100504 0.72 CYP1A2 (0.43) NPC1CYP1A2KDM4ERAB9AHTR3A
SCHEMBL18907328 0.72 IDO1 (0.33) NPC1CYP1A2KDM4ERAB9AL3MBTL1
SCHEMBL8795812 0.72 KDM4E (0.48) TDP1NPC1CYP1A2KDM4ERAB9A
SCHEMBL22068582 0.70 ASIC3 (0.44) NPC1KDM4EMIF
SCHEMBL26638414 0.68 NPC1 (0.36) TDP1NPC1CYP1A2KDM4ERAB9A

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-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 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-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OGFR, OR10J3, OPRL1 TDP1 4820/4885NPC1 2673/4885CYP1A2 1185/4885

“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.