SCHEMBL13619980

SCHEMBL13619980

CC(C)CCn1cc(C=O)c2ccc(C(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IMPDH2 P12268 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL13658256 0.80 POLB (0.58) POLBALDH1A1TDP1L3MBTL1IMPDH2
SCHEMBL13619987 0.76 KRAS (0.47) POLBALDH1A1TDP1L3MBTL1NPC1
SCHEMBL28597875 0.73 XDH (0.43) POLBALDH1A1TDP1L3MBTL1NPC1
SCHEMBL28323544 0.71 ALDH1A1 (0.50) TYRALDH1A1IMPDH2LMNAPTPN1
SCHEMBL26675294 0.70 KMT2A (0.41) POLBALDH1A1TDP1L3MBTL1IMPDH2
SCHEMBL24143350 0.69 CYP2A6 (0.41) POLBALDH1A1TDP1IMPDH2LMNA
SCHEMBL18250323 0.69 POLB (0.42) POLBTDP1NPC1MAPTRAB9A
SCHEMBL28596332 0.67 XDH (0.45) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL10193355 0.66 ALDH1A1 (0.46) POLBALDH1A1TDP1IMPDH2MAPT
SCHEMBL24143364 0.65 NR1D1 (0.56) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF TYR 3012/4885POLB 540/4885ALDH1A1 1614/4885

“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.