SCHEMBL4095854

SCHEMBL4095854

CCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cccnc2)C3=O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 1.00
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL4104783 0.89 HSD17B1 (0.80) HSD17B1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL13774778 0.84 HSD17B1 (0.73) HSD17B1ERCC1ERCC4LMNAALDH1A1
SCHEMBL4095452 0.83 HSD17B1 (0.71) HSD17B1KDM4EHPGDTSHRGAA
SCHEMBL4096025 0.81 HSD17B1 (0.69) HSD17B1ALDH1A1HSD17B10ALOX15
SCHEMBL4091894 0.74 HSD17B1 (1.00) HSD17B1ERCC1ERCC4LMNAALDH1A1
SCHEMBL4101697 0.72 HSD17B1 (0.57) HSD17B1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4091199 0.72 HSD17B1 (0.80) HSD17B1ERCC1ERCC4LMNAALDH1A1
SCHEMBL4102704 0.71 HSD17B1 (0.55) HSD17B1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL4101336 0.70 HSD17B1 (0.64) HSD17B1ERCC1ERCC4LMNAALDH1A1
SCHEMBL4095792 0.69 HSD17B1 (0.67) HSD17B1ERCC1ERCC4LMNAALDH1A1

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 4/4885ERCC1 4154/4885ERCC4 2567/4885

“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.