SCHEMBL4085811

SCHEMBL4085811

CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3ccccn3)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.67
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4086212 0.90 HSD17B1 (0.60) HSD17B1LMNAPOLBNPC1RAB9A
SCHEMBL4103497 0.87 KMT2A (0.53) HSD17B1LMNAPOLBNPC1RAB9A
SCHEMBL4091894 0.80 HSD17B1 (1.00) HSD17B1LMNAALDH1A1MAPTCYP1A2
SCHEMBL4102509 0.78 HSD17B1 (0.62) HSD17B1LMNAHPGDSMN1; SMN2GAA
SCHEMBL4085481 0.77 MAPT (0.47) HSD17B1POLBNPC1RAB9AHPGD
SCHEMBL4094136 0.75 HSD17B1 (0.82) HSD17B1GAAMEN1KMT2AALDH1A1
SCHEMBL4095452 0.73 HSD17B1 (0.71) HSD17B1POLBNPC1RAB9AHPGD
SCHEMBL1690435 0.73 HPGD (0.68) POLBALOX15HPGDSMN1; SMN2TDP1
SCHEMBL8282838 0.71 HPGD (0.67) POLBNPC1RAB9AALOX15HPGD
SCHEMBL1696118 0.70 SMN1; SMN2 (0.74) POLBALOX15HPGDSMN1; SMN2TDP1

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 1964/4885POLB 1755/4885

“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.