SCHEMBL4093192

SCHEMBL4093192

COc1ccc(Oc2ccc(C(=O)CCC(=O)NCc3cccnc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
LMNA P02545 3/20 0.64
MMP13 P45452 1/20 0.60
HSD17B1 P14061 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
THRB P10828 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MAPK1 P28482 1/20 0.53
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4085277 0.90 HSD17B1 (0.60) GAALMNAMMP13HSD17B1SMN1; SMN2
SCHEMBL4093157 0.89 LMNA (0.61) GAALMNAMMP13HSD17B1USP2
SCHEMBL4101406 0.87 HSD17B1 (0.61) GAALMNAMMP13HSD17B1ALDH1A1
SCHEMBL4095399 0.85 HSD17B1 (0.77) GAALMNAMMP13HSD17B1MAPT
SCHEMBL11606129 0.81 GAA (0.61) GAALMNAMMP13SMN1; SMN2HTT
SCHEMBL8326064 0.81 GAA (1.00) GAALMNAMMP13SMN1; SMN2HTT
SCHEMBL7367952 0.81 RAB9A (0.68) GAALMNASMN1; SMN2HTTTHRB
SCHEMBL20908866 0.81 GAA (0.65) GAALMNASMN1; SMN2HTTTHRB
SCHEMBL4096345 0.80 HSD17B1 (0.62) GAALMNAHSD17B1SMN1; SMN2HTT
SCHEMBL4092508 0.79 MMP1 (0.49) GAALMNAMMP13HSD17B1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-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) 2009-01-14 EP 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 GAA 316/4885LMNA 1964/4885MMP13 800/4885

“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.