SCHEMBL4091874

SCHEMBL4091874

CCc1cc(-c2ccc(C(=O)CC(C)(C)C(=O)NCc3cccnc3)cc2)ccc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.78
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
USP2 O75604 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
CYP2C19 P33261 2/20 0.52
PTAFR P25105 3/20 0.49
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4102741 0.91 HSD17B1 (0.65) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4085897 0.88 HSD17B1 (1.00) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4094282 0.85 HSD17B1 (0.77) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4098502 0.79 HSD17B1 (0.82) HSD17B1PTAFRNAMPT
SCHEMBL4099539 0.78 HSD17B1 (0.64) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4100708 0.77 HSD17B1 (0.62) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4098160 0.75 SRD5A2 (0.44) HSD17B1L3MBTL1TSHRMAPTHTT
SCHEMBL4101406 0.74 HSD17B1 (0.61) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4090683 0.74 PKM (0.51) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4092191 0.73 HSD17B1 (0.52) HSD17B1ALDH1A1L3MBTL1USP2NPSR1

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 4/4885ALDH1A1 56/4885L3MBTL1 4333/4885

“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.