SCHEMBL7804236

SCHEMBL7804236

O=C(COc1ccccc1Br)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 5/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 6/20 0.52
ROCK2 O75116 1/20 0.51
TNKS O95271 1/20 0.51
PARP1 P09874 1/20 0.51
ROCK1 Q13464 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PARP3 Q9Y6F1 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
HPGD P15428 3/20 0.50

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
SCHEMBL9787048 0.87 L3MBTL1 (0.73) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL9369487 0.84 NPC1 (0.65) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL31357489 0.84 NPC1 (0.65) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL6221568 0.83 PTGDR2 (0.57) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL3241147 0.83 PKM (0.64) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL13526356 0.83 GRM4 (0.54) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL23980841 0.82 NPC1 (0.50) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL5107146 0.82 GRM4 (0.56) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL19668428 0.81 TDP1 (0.54) GRM4L3MBTL1TDP1KMT2AMEN1
SCHEMBL31692111 0.81 TDP1 (0.54) GRM4L3MBTL1TDP1KMT2AMEN1

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-20010031766-A1 Prostaglandin receptor ligands MERCK FROSST CANADA & CO. 2001-10-18 US disclosed
EP-1119542-A1 PROSTAGLANDIN RECEPTOR LIGANDS Merck Frosst Canada & Co. (CA) 2001-08-01 EP disclosed
US-6211197-B1 CARBOXYLIC ACID OR TETRAZOLE DERIVATES; ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-03 US disclosed
WO-2000020371-A1 PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA & CO. (CA) 2000-04-13 WO disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 US disclosed
US-4829067-A INHIBITORS OF REFLECTIVE CONTRACTION OF BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-05-09 US disclosed
EP-0270342-A2 A benzo-furan (or -thiophene) derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-08 EP disclosed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 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 (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-20010031766-A1 Prostaglandin receptor ligands PTGER1, PTGER2, PTGFR GRM4 510/4885L3MBTL1 4759/4885TDP1 4673/4885

“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.