SCHEMBL6496641

SCHEMBL6496641

CC(Nc1ccc2oc3ccccc3c2c1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 6/20 0.43
HTT P42858 2/20 0.43
NPY5R Q15761 1/20 0.43
MAPT P10636 7/20 0.41
HPGD P15428 7/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCHR1 Q99705 1/20 0.39
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
AHR P35869 2/20 0.38

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
SCHEMBL6493312 0.93 NPC1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6482381 0.82 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6491786 0.79 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6768626 0.78 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6492202 0.77 NPY5R (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6482205 0.77 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6492799 0.75 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6492228 0.75 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6482873 0.74 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6498269 0.73 NPY5R (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 MEN1 3995/4885KMT2A 412/4885SMN1; SMN2 1930/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MEN1 3464/4885KMT2A 770/4885SMN1; SMN2 1358/4885

“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.