SCHEMBL791813

SCHEMBL791813

C[C@H]1CC[C@H](NCc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
KDM1A O60341 1/20 0.49
CHEK1 O14757 1/20 0.48
MEP1B Q16820 7/20 0.48
NR1H4 Q96RI1 1/20 0.47
FOLH1 Q04609 1/20 0.46
PPM1D O15297 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL30444177 0.93 KDM1A (0.54) KDM1AMEP1BNR1H4FOLH1PPM1D
SCHEMBL21088517 0.86 PPM1D (0.57) KDM1AMEP1BFOLH1PPM1DHIF1A
SCHEMBL14032272 0.84 KDM1A (0.48) KDM1AMEP1BNR1H4FOLH1PPM1D
SCHEMBL15830232 0.83 PRMT5 (0.51) KDM1AMEP1BNR1H4FOLH1PPM1D
SCHEMBL6911153 0.82 ALDH1A1 (0.51) KDM1ASMYD3
SCHEMBL791504 0.82 CHEK1 (0.54) THRBCHEK1
SCHEMBL30443983 0.80 KDM1A (0.51) KDM1AMEP1BNR1H4FOLH1PPM1D
SCHEMBL12680887 0.78 GRIN2B (0.62) THRBVEGFAEGLN1
SCHEMBL9028836 0.78 GRIN2B (0.62) THRBVEGFAEGLN1
SCHEMBL12680885 0.78 GRIN2B (0.62) THRBVEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 THRB 4134/4885KDM1A 2861/4885CHEK1 4324/4885

“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.