SCHEMBL6482205

SCHEMBL6482205

CCC(C)Nc1ccc2oc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 3/20 0.46

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
SCHEMBL24742240 0.91 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL6482873 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4NPSR1NPC1
SCHEMBL6492799 0.87 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6492228 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPSR1NPC1RAB9A
SCHEMBL6482381 0.84 MEN1 (0.50) SMN1; SMN2ALDH1A1TP53CYP3A4THRB
SCHEMBL6491786 0.81 NPC1 (0.48) SMN1; SMN2ALDH1A1TP53HSP90AA1ALOX15
SCHEMBL6495859 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPSR1NPC1RAB9A
SCHEMBL6492202 0.79 NPY5R (0.53) SMN1; SMN2ALDH1A1THRBTSHRNPC1
SCHEMBL6498269 0.78 NPY5R (0.47) SMN1; SMN2ALDH1A1HSP90AA1NPSR1NPC1
SCHEMBL6482218 0.78 MAPT (0.48) SMN1; SMN2ALDH1A1CYP3A4ALOX15NPSR1

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 SMN1; SMN2 1930/4885ALDH1A1 4486/4885TP53 2848/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 SMN1; SMN2 1358/4885ALDH1A1 4111/4885TP53 1970/4885

“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.