SCHEMBL6492799

SCHEMBL6492799

CC(C)CC(C)Nc1ccc2oc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL6482205 0.87 SMN1; SMN2 (0.50) ALDH1A1ALOX15CYP3A4TSHRHIF1A
SCHEMBL6482873 0.84 SMN1; SMN2 (0.44) ALDH1A1CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL6482381 0.83 MEN1 (0.50) ALDH1A1ALOX15CYP3A4TSHRALOX12
SCHEMBL6491786 0.80 NPC1 (0.48) ALDH1A1ALOX15TSHRNPC1RAB9A
SCHEMBL6492228 0.79 SMN1; SMN2 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL24742240 0.78 SMN1; SMN2 (0.56) ALDH1A1ALOX15CYP3A4TSHRMAPK1
SCHEMBL6492202 0.78 NPY5R (0.53) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6498269 0.77 NPY5R (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6482218 0.77 MAPT (0.48) ALDH1A1ALOX15CYP3A4NPC1RAB9A
SCHEMBL23693970 0.76 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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 ALDH1A1 4486/4885ALOX15 3432/4885CYP3A4 1179/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 ALDH1A1 4111/4885ALOX15 4326/4885CYP3A4 1780/4885

“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.