SCHEMBL394183

SCHEMBL394183

CC(=Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.66
AKR1C2 P52895 1/20 0.55
HSD17B3 P37058 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SLC9A1 P19634 1/20 0.47
SLC9A3 P48764 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A19 Q695T7 1/20 0.46
PTGS2 P35354 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MAPT P10636 2/20 0.43
HCRTR1 O43613 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2419606 1.00 AKR1C3 (0.66) AKR1C3AKR1C2HSD17B3ALDH1A1SLC9A1
SCHEMBL394182 1.00 AKR1C3 (0.66) AKR1C3AKR1C2HSD17B3ALDH1A1SLC9A1
SCHEMBL8746678 0.88 AKR1C3 (0.76) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2
SCHEMBL8746676 0.88 AKR1C3 (0.76) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2
SCHEMBL23890398 0.87 HSD17B3 (0.55) AKR1C3AKR1C2HSD17B3ALDH1A1SLC9A1
SCHEMBL3095394 0.81 AKR1C3 (0.71) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2
SCHEMBL820380 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2
SCHEMBL7824296 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2
SCHEMBL1137220 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2
SCHEMBL1137218 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204357-B1 FLUORESCENT SYNTHETIC RETINOIDS HIGH FORCE RES LIMITED (GB) 2022-01-19 EP disclosed
US-10759762-B2 Fluorescent synthetic retinoids HIGH FORCE RESEARCH LIMITED (GB) 2020-09-01 US disclosed
EP-3517571-A1 (METH)ACRYLIC COPOLYMER, RESIN COMPOSITION, MOLDED BODY OF SAME, AND METHOD FOR PRODUCING MOLDED BODY Mitsubishi Gas Chemical Company, Inc. (JP) 2019-07-31 EP disclosed
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
EP-3204357-A2 FLUORESCENT SYNTHETIC RETINOIDS High Force Research Limited (GB) 2017-08-16 EP disclosed
US-20170217893-A1 Fluorescent Synthetic Retinoids HIGH FORCE RESEARCH LIMITED (GB) 2017-08-03 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
WO-2016055800-A2 FLUORESCENT SYNTHETIC RETINOIDS HIGH FORCE RESEARCH LIMITED (GB) 2016-04-14 WO disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
CN-101679275-A New compounds 707 and their uses ASTRAZENECA AB 2010-03-24 CN disclosed
EP-2144881-A1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA AstraZeneca AB (SE) 2010-01-20 EP disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 WO disclosed
EP-1773786-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 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 (7 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885
US-10759762-B2 Fluorescent synthetic retinoids RARB, RXRB, RXRA AKR1C3 219/4885AKR1C2 507/4885HSD17B3 880/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 AKR1C3 378/4885AKR1C2 743/4885HSD17B3 648/4885
US-20170217893-A1 Fluorescent Synthetic Retinoids RARB, RXRB, RXRA AKR1C3 219/4885AKR1C2 507/4885HSD17B3 880/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885

“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.