SCHEMBL4086023

SCHEMBL4086023

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.64
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SRD5A2 P31213 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.48
ADRB2 P07550 1/20 0.47
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6342125 0.86 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL12325012 0.84 HSD17B1 (0.59) HSD17B1ALDH1A1HPGD
SCHEMBL24115975 0.82 ALDH1A1 (0.47) HSD17B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4096434 0.82 PDE4A (0.55) ALDH1A1
SCHEMBL4091829 0.81 MAPT (0.58) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL4085995 0.81 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2ASRD5A2L3MBTL1
SCHEMBL4085535 0.81 ABCG2 (0.47) HSD17B1MEN1KMT2ASRD5A2
SCHEMBL14499485 0.80 FFAR1 (0.49) HSD17B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4095528 0.80 ALDH1A1 (0.43) HSD17B1ALDH1A1MEN1KMT2ASRD5A2
SCHEMBL9149352 0.79 LMNA (0.60) HSD17B1ALDH1A1GAAMAPK1

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 6 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
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
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 56/4885MEN1 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.