SCHEMBL13201839

SCHEMBL13201839

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NCc4ccccc4)CC[C@]3(C)CC[C@]12C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 7/20 0.80
TERT O14746 5/20 0.78
HSP90AB1 P08238 5/20 0.77
CASP3 P42574 5/20 0.77
CDC37 Q16543 5/20 0.77
PRDX1 Q06830 1/20 0.76
HSP90AA1 P07900 1/20 0.73
CCR6 P51684 1/20 0.73
PAX8 Q06710 1/20 0.73
TLR9 Q9NR96 1/20 0.73
PTPN1 P18031 1/20 0.71
CASP1 P29466 1/20 0.71
ABHD6 Q9BV23 1/20 0.71
KDM4E B2RXH2 1/20 0.71
TP53 P04637 1/20 0.71
CYP3A4 P08684 1/20 0.71
MAPT P10636 1/20 0.71
HPGD P15428 1/20 0.71
ALOX15 P16050 1/20 0.71
ALOX12 P18054 1/20 0.71

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
SCHEMBL13201838 0.92 NR4A1 (0.76) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL18782082 0.89 NR4A1 (0.85) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL17124756 0.89 NR4A1 (1.00) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL13944657 0.88 NR4A1 (0.62) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL24927429 0.87 TERT (1.00) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL12395121 0.87 HSP90AB1 (1.00) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL13944038 0.86 NR4A1 (1.00) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL13943187 0.86 NR4A1 (1.00) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL19733643 0.86 NR4A1 (0.87) NR4A1TERTHSP90AB1CASP3CDC37
SCHEMBL18781835 0.85 TERT (0.77) NR4A1TERTHSP90AB1CASP3CDC37

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
US-7776894-B2 Compositions and methods for inhibiting growth and metastasis of melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-08-17 US disclosed
WO-2009026163-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 WO disclosed
US-20090054438-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 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-20090054438-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA API5, ACIN1, MCL1 NR4A1 4146/4885TERT 2018/4885HSP90AB1 116/4885

“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.