SCHEMBL4097796

SCHEMBL4097796

CCc1cc(-c2ccc(-c3cc(C(=O)O)[nH]n3)cc2)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 11/20 0.64
CA12 O43570 4/20 0.64
CA9 Q16790 3/20 0.64
MAPT P10636 5/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 1/20 0.54
RPA1 P27694 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL14152904 0.81 MAPT (0.77) ALPLCA12CA9MAPTGAA
SCHEMBL4102391 0.81 NR1H4 (0.60) ALPLCA12CA9MAPTGAA
SCHEMBL1413995 0.78 ALPL (1.00) ALPLCA12CA9MAPTGAA
SCHEMBL14152359 0.78 ALPL (1.00) ALPLCA12CA9MAPTTP53
SCHEMBL4384447 0.78 ALPL (0.64) ALPLCA12CA9MAPTGAA
SCHEMBL4092658 0.76 HSD17B1 (0.45) MAPTGAAMEN1KMT2ATP53
SCHEMBL3447577 0.75 ALPL (1.00) ALPLCA12CA9MAPTGAA
SCHEMBL25196067 0.74 ALPL (0.62) ALPLCA12CA9MAPTGAA
SCHEMBL12325012 0.74 HSD17B1 (0.59) MAPTLMNAALDH1A1
SCHEMBL15094586 0.73 ALPL (1.00) ALPLCA12CA9MAPTTP53

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 ALPL 414/4885CA12 1385/4885CA9 1886/4885

“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.