SCHEMBL13624115

SCHEMBL13624115

CCn1ccc(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ACSS2 Q9NR19 1/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
KIF11 P52732 2/20 0.40
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 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
SCHEMBL14405047 0.85 ACSS2 (0.43) ALDH1A1HTTNPSR1ACSS2KIF11
SCHEMBL27753624 0.84 CYP19A1 (0.47) ALDH1A1HTTNPSR1HPGDSMN1; SMN2
SCHEMBL20782019 0.80 ACSS2 (0.40) ALDH1A1HTTNPSR1ACSS2HPGD
SCHEMBL31306191 0.79 KEAP1 (0.61) ALDH1A1ACSS2HPGDSMN1; SMN2KDM4E
SCHEMBL3447669 0.79 KMT2A (0.48) ALDH1A1NPSR1ACSS2HPGDSMN1; SMN2
SCHEMBL13634221 0.79 ALDH1A1 (0.49) ALDH1A1HTTNPSR1ACSS2HPGD
SCHEMBL26112584 0.79 SCN4A (0.51) ALDH1A1NPSR1ACSS2HPGDSMN1; SMN2
SCHEMBL21051373 0.79 ACSS2 (0.43) ALDH1A1NPSR1ACSS2HPGDSMN1; SMN2
SCHEMBL8005007 0.79 MAPT (0.41) ALDH1A1ACSS2HPGDSMN1; SMN2KDM4E
SCHEMBL11123118 0.78 KMT2A (0.59) ALDH1A1HTTNPSR1ACSS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF ALDH1A1 2506/4885HTT 1913/4885NPSR1 2711/4885

“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.