SCHEMBL2892780

SCHEMBL2892780

CC(=O)N(C)c1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.49
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
FSCN1 Q16658 1/20 0.41
ERN1 O75460 3/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38

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
SCHEMBL6696630 0.85 LMNA (0.44) TSPOLMNAMEN1KMT2ATHRB
Acetic Acid SCHEMBL19133449 0.81 TSHR (0.47) TSPOLMNAMEN1KMT2ATHRB
SCHEMBL6696043 0.80 TSHR (0.41) TSPOLMNAMEN1KMT2ATHRB
SCHEMBL27583175 0.79 LMNA (0.43) TSPOLMNAMEN1KMT2ATHRB
SCHEMBL97297 0.77 LMNA (0.55) LMNAMEN1KMT2ATHRBBLM
SCHEMBL29954357 0.77 LMNA (0.55) LMNAMEN1KMT2ATHRBBLM
SCHEMBL24190075 0.76 PAX8 (0.40) TSPOLMNAMEN1KMT2ATHRB
SCHEMBL30346189 0.76 PAX8 (0.40) TSPOLMNAMEN1KMT2ATHRB
SCHEMBL7183179 0.76 CTDSP1 (0.41) LMNAMEN1KMT2ATHRBBLM
SCHEMBL15224071 0.75 TSPO (0.55) TSPOLMNATDP1ALDH1A1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 TSPO 928/4885LMNA 4164/4885MEN1 4084/4885

“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.