SCHEMBL4001

SCHEMBL4001

O=C(O)CC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.57
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL4239672 0.93 HSD11B1 (0.68) HSD11B1MAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13719744 0.87 HSD11B1 (0.47) HSD11B1MAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL24032745 0.85 HSD11B1 (0.46) HSD11B1MAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20788461 0.84 HSD11B1 (0.45) HSD11B1MAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6253313 0.82 HSD11B1 (0.59) HSD11B1ALDH1A1L3MBTL1TSHR
SCHEMBL1361875 0.82 TSHR (0.58) HSD11B1ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL31650281 0.81 ALDH1A1 (0.42) HSD11B1MAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5644518 0.81 HSD11B1 (0.57) HSD11B1ALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL7177946 0.81 ALDH1A1 (0.61) HSD11B1ALDH1A1L3MBTL1TSHR
SCHEMBL16232160 0.81 HSD11B1 (0.83) HSD11B1ALDH1A1L3MBTL1TSHRKMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137324-A Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-01-30 US claimed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 US disclosed
EP-1673336-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-05-30 EP disclosed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 US disclosed
EP-1673336-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-06-28 EP disclosed
WO-2005019161-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-03 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 (2 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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 HSD11B1 2040/4885MAPK1 1825/4885ALDH1A1 3726/4885
US-20060287373-A1 Cathepsin cysteine protease inhibitors CTSE, CTSS, CTSB HSD11B1 3736/4885MAPK1 3497/4885ALDH1A1 4386/4885

“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.