SCHEMBL4177772

SCHEMBL4177772

O=C(O)CC12C=C1c1ccccc1-c1cc3ccccc3n1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.36
CCR2 P41597 2/20 0.34
OXER1 Q8TDS5 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
TERT O14746 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
DAO P14920 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
MCL1 Q07820 1/20 0.31

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
SCHEMBL51501 0.67 RPS6KA2 (0.37) KMT2AHSD17B10
SCHEMBL31185878 0.66 MAPT (0.42) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL4554663 0.65 RPS6KA3 (0.36) L3MBTL1ALDH1A1KMT2ACCR2KDM4E
SCHEMBL30954226 0.63 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL8326874 0.62 HTR2A (0.42) L3MBTL1ALDH1A1OXER1HPGDDAO
SCHEMBL51354 0.62 DAO (0.38) L3MBTL1ALDH1A1KMT2ACCR2CA12
SCHEMBL2421457 0.60 KDM4E (0.49) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL8324980 0.60 HTR2A (0.42)
SCHEMBL6689677 0.60 L3MBTL1 (1.00) L3MBTL1ALDH1A1KMT2ACCR2MTNR1A
SCHEMBL31186094 0.59 CYP2D6 (0.36) ALDH1A1KMT2AKDM4EHPGDHSD17B10

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
US-20090130057-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US claimed
EP-2518073-A1 Compounds for the treatment of Hepatitis C Bristol-Myers Squibb Company (US) 2012-10-31 EP 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-20090130057-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 L3MBTL1 4160/4885ALDH1A1 163/4885KMT2A 4456/4885

“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.