SCHEMBL4093511

SCHEMBL4093511

CCc1cc(-c2ccc(C(=O)CCC(=O)NCCc3cccnc3)c(C)c2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.67
PTAFR P25105 5/20 0.48
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NAMPT P43490 2/20 0.40
LMNA P02545 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 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
SCHEMBL4091199 0.91 HSD17B1 (0.80) HSD17B1ALDH1A1LMNACCNE1CDK2
SCHEMBL4094136 0.90 HSD17B1 (0.82) HSD17B1PTAFRMEN1ALDH1A1GAA
SCHEMBL4085974 0.88 HSD17B1 (0.52) HSD17B1PTAFRMEN1ALDH1A1KMT2A
SCHEMBL4091894 0.81 HSD17B1 (1.00) HSD17B1ALDH1A1HDAC1LMNA
SCHEMBL4100708 0.80 HSD17B1 (0.62) HSD17B1ALDH1A1LMNA
SCHEMBL4099539 0.79 HSD17B1 (0.64) HSD17B1PTAFRMEN1ALDH1A1KMT2A
SCHEMBL4098502 0.77 HSD17B1 (0.82) HSD17B1PTAFRHDAC1HDAC2HDAC8
SCHEMBL4092600 0.77 HSD17B1 (0.72) HSD17B1KMT2ASMN1; SMN2LMNACCNE1
SCHEMBL16610103 0.75 CYP3A4 (0.61) PTAFRMEN1ALDH1A1GAAKMT2A
SCHEMBL4092400 0.72 HSD17B1 (0.66) HSD17B1MEN1GAAKMT2ASMN1; SMN2

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 4/4885PTAFR 3930/4885MEN1 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.