SCHEMBL13619987

SCHEMBL13619987

CC(C)CCn1cc(C=O)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.47
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC2 Q92887 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
BCHE P06276 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NQO1 P15559 1/20 0.38
NQO2 P16083 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL22122327 0.81 GAA (0.52) KRASALDH1A1KDM4EABCC2GAA
SCHEMBL28597875 0.81 XDH (0.43) ALDH1A1KDM4EGAAPOLBBCHE
SCHEMBL13658256 0.80 POLB (0.58) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL11893549 0.80 CNR2 (0.55) ABCC2BCHE
SCHEMBL6644618 0.80 KRAS (0.45) KRASALDH1A1ABCC2BCHESMN1; SMN2
SCHEMBL6648077 0.80 NPC1 (0.47) KRASALDH1A1ABCC2POLBBCHE
SCHEMBL2809556 0.79 NPC1 (0.52) ALDH1A1POLBBCHETDP1L3MBTL1
SCHEMBL5437254 0.76 ALDH1A1 (0.66) KRASALDH1A1KDM4EABCC2
SCHEMBL13619980 0.76 TYR (0.41) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL671605 0.76 PDE4B (0.46) KRASALDH1A1KDM4EABCC2SMN1; 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 3 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
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 KRAS 99/4885ALDH1A1 1614/4885KDM4E 1012/4885

“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.