SCHEMBL17124753

SCHEMBL17124753

CC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OCc6ccccc6)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 8/20 0.73
HSP90AB1 P08238 4/20 0.73
CDC37 Q16543 4/20 0.73
NR4A1 P22736 7/20 0.69
HSP90AA1 P07900 1/20 0.62
CCR6 P51684 1/20 0.62
PAX8 Q06710 1/20 0.62
TLR9 Q9NR96 1/20 0.62
TERT O14746 1/20 0.61
PTPN1 P18031 1/20 0.61
CASP1 P29466 1/20 0.61
ABHD6 Q9BV23 1/20 0.61
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL17130183 0.94 CASP3 (0.74) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL22011612 0.92 CASP3 (0.86) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL22011610 0.92 NR4A1 (0.81) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL22010853 0.92 CASP3 (0.80) CASP3HSP90AB1CDC37NR4A1TERT
SCHEMBL18782109 0.90 NR4A1 (0.68) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL18782359 0.90 CASP3 (0.72) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL22011080 0.90 CASP3 (0.68) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL17124754 0.90 NR4A1 (0.72) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL26204983 0.90 NR4A1 (0.85) CASP3HSP90AB1CDC37NR4A1HSP90AA1
SCHEMBL18782341 0.89 CASP3 (0.71) CASP3HSP90AB1CDC37NR4A1HSP90AA1

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-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2018-07-12 US disclosed
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2015-10-01 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 (2 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-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 CASP3 750/4885HSP90AB1 2810/4885CDC37 3268/4885
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 CASP3 750/4885HSP90AB1 2810/4885CDC37 3268/4885

“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.