SCHEMBL4096025

SCHEMBL4096025

CCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cnc(C)cn2)C3=O)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.69
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
P2RX3 P56373 5/20 0.34
P2RX2 Q9UBL9 5/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CHEK1 O14757 1/20 0.34
RORC P51449 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
WDR5 P61964 2/20 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
SCHEMBL4102704 0.89 HSD17B1 (0.55) HSD17B1KMT2AMEN1ALDH1A1ALOX15
SCHEMBL4095452 0.86 HSD17B1 (0.71) HSD17B1KMT2AMEN1
SCHEMBL13774778 0.83 HSD17B1 (0.73) HSD17B1KMT2AMEN1ALDH1A1
SCHEMBL4095854 0.81 HSD17B1 (1.00) HSD17B1ALDH1A1ALOX15HSD17B10
SCHEMBL4101697 0.75 HSD17B1 (0.57) HSD17B1KMT2AMEN1ALDH1A1
SCHEMBL4104783 0.71 HSD17B1 (0.80) HSD17B1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4100679 0.69 HSD17B1 (0.56) HSD17B1
SCHEMBL4085279 0.65 HSD17B1 (0.45) HSD17B1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4085986 0.65 HSD17B1 (0.53) HSD17B1
SCHEMBL4093483 0.64 HSD17B1 (0.50) HSD17B1KMT2AMEN1ALDH1A1HSD17B10

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885KMT2A 2145/4885MEN1 1122/4885

“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.