SCHEMBL13044656

SCHEMBL13044656

Cc1ccc(NCC(C)C)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
ESR1 P03372 6/20 0.40
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 1/20 0.34
ACP1 P24666 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NR3C1 P04150 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
ESR2 Q92731 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL13044666 0.81 ESR1 (0.44) IDO1ESR1KDM6BKDM4CLMNA
SCHEMBL11991397 0.81 IDO1 (0.40) IDO1ESR1KDM6BKDM4CLMNA
SCHEMBL13044655 0.81 IDO1 (0.40) IDO1ESR1KDM6BKDM4CLMNA
SCHEMBL13044713 0.81 ESR1 (0.44) IDO1ESR1KDM6BKDM4CLMNA
SCHEMBL13947026 0.74 IDO1 (0.41) IDO1KDM6BKDM4CALDH1A1HCAR3
SCHEMBL25694109 0.73 CA12 (0.42) IDO1KDM4CHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL22808709 0.72 CCR1 (0.42) LMNAKDM4EALDH1A1
SCHEMBL12763804 0.72 IDO1 (0.41) IDO1ESR1KDM6BKDM4CLMNA
SCHEMBL24251705 0.70 CCNA2 (0.33) LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13045073 0.70 ACP1 (0.39) ESR1TLR7KDM4EUSP2HPGD

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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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 (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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B IDO1 3663/4885ESR1 2828/4885KDM6B 1728/4885

“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.