SCHEMBL4312831

SCHEMBL4312831

[c]1ccc2c(c1)-c1ccccc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
CYP2A6 P11509 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B2 P19099 2/20 0.34

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
SCHEMBL476341 0.87 CES1 (0.46) CES1SRD5A1SRD5A2MAOBMAOA
SCHEMBL24206 0.87 MAOA (0.46) CES1SRD5A2MAOBMAOARAB9A
SCHEMBL8174906 0.84 CES1 (0.61) CES1MAOBMAOACYP2A6L3MBTL1
Dihydrophenanthrene SCHEMBL155991 0.78 CES1 (0.68) CES1SRD5A1SRD5A2MAOBMAOA
Dihydrophenanthrene SCHEMBL30297028 0.78 CES1 (0.68) CES1SRD5A1SRD5A2MAOBMAOA
Dihydrophenanthrene SCHEMBL29404495 0.78 CES1 (0.68) CES1SRD5A1SRD5A2MAOBMAOA
SCHEMBL8162675 0.76 CES1 (0.61) CES1MAOBMAOACYP2A6L3MBTL1
Dihydrophenanthrene SCHEMBL28858771 0.75 CES1 (0.65) CES1SRD5A1SRD5A2MAOBMAOA
SCHEMBL30436624 0.75 CES1 (0.65) CES1SRD5A1SRD5A2MAOBMAOA
Dihydrophenanthrene SCHEMBL28876918 0.75 CES1 (0.65) CES1SRD5A1SRD5A2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 CES1 347/4885SRD5A1 1843/4885SRD5A2 2148/4885

“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.