SCHEMBL4085897

SCHEMBL4085897

CCc1cc(-c2ccc(C(=O)CC(C)(C)C(=O)NCc3cccnc3)cc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 1.00
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4098502 0.90 HSD17B1 (0.82) HSD17B1HDAC1
SCHEMBL4091874 0.88 HSD17B1 (0.78) HSD17B1LMNAALDH1A1MAPTHTT
SCHEMBL4091894 0.84 HSD17B1 (1.00) HSD17B1LMNAALDH1A1MAPTHDAC1
SCHEMBL4102741 0.79 HSD17B1 (0.65) HSD17B1ALDH1A1L3MBTL1MAPK1USP2
SCHEMBL4094136 0.77 HSD17B1 (0.82) HSD17B1ALDH1A1HDAC1KMT2AMEN1
SCHEMBL4091199 0.76 HSD17B1 (0.80) HSD17B1LMNAALDH1A1MAPT
SCHEMBL29912975 0.74 RIPK1 (0.68) HSD17B1LMNAALDH1A1MAPTHTT
SCHEMBL17882320 0.74 RIPK1 (0.68) HSD17B1LMNAALDH1A1MAPTHTT
SCHEMBL4101336 0.72 HSD17B1 (0.64) HSD17B1LMNAALDH1A1MAPTHTT
SCHEMBL4094282 0.72 HSD17B1 (0.77) HSD17B1LMNAALDH1A1MAPTL3MBTL1

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 4/4885LMNA 1964/4885ALDH1A1 56/4885

“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.