SCHEMBL10161076

SCHEMBL10161076

COC(=O)c1ccccc1C(=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 4/20 0.55
CFTR P13569 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.47
SLC6A3 Q01959 3/20 0.47
MYC P01106 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MITF O75030 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
Dimethyl Phthalate SCHEMBL29669976 0.85 TSHR (0.74) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL10308375 0.85 PDK2 (0.46) TSHRALDH1A1KDM4EMAPTALOX15
Dimethyl Phthalate SCHEMBL29500970 0.85 TSHR (0.74) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL790124 0.85 TSHR (0.74) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL34630 0.85 TSHR (0.74) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL10602130 0.83 TSHR (0.71) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL27547487 0.83 TSHR (0.71) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL28376050 0.83 TSHR (0.71) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL30278536 0.83 TSHR (0.71) TSHRLMNAALDH1A1CFTRHSD17B10
Dimethyl Phthalate SCHEMBL27810205 0.83 TSHR (0.71) TSHRLMNAALDH1A1CFTRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 US disclosed
US-20170327549-A1 Adenylation Enzyme Inhibitors STICHTING HET NEDERLANDS KANKER INSTITUUT - ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2017-11-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (6 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 TSHR 1758/4885LMNA 329/4885ALDH1A1 3104/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885LMNA 2387/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TSHR 4659/4885LMNA 2387/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885LMNA 2387/4885ALDH1A1 1806/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885LMNA 2387/4885ALDH1A1 1806/4885
US-20170327549-A1 Adenylation Enzyme Inhibitors ADSL, APEH, AHCY TSHR 4213/4885LMNA 2313/4885ALDH1A1 166/4885

“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.