SCHEMBL1812867

SCHEMBL1812867

CC(C)=Cc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HSD17B3 P37058 1/20 0.50
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
SLC9A1 P19634 1/20 0.44
SLC9A3 P48764 1/20 0.44
SLC9A2 Q9UBY0 1/20 0.44
SLC6A19 Q695T7 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BACE1 P56817 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PLEC Q15149 1/20 0.39

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
SCHEMBL1554030 0.86 SLC9A1 (0.48) ALDH1A1AKR1C3SLC9A1SLC9A3SLC9A2
SCHEMBL27589991 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B3AKR1C3AKR1C2SLC9A1
SCHEMBL23890398 0.82 HSD17B3 (0.55) ALDH1A1HSD17B3AKR1C3AKR1C2SLC9A1
SCHEMBL13385329 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B3AKR1C3AKR1C2SLC6A19
SCHEMBL394182 0.80 AKR1C3 (0.66) ALDH1A1HSD17B3AKR1C3AKR1C2SLC9A1
SCHEMBL21294254 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B3AKR1C3AKR1C2SLC9A1
SCHEMBL2419606 0.80 AKR1C3 (0.66) ALDH1A1HSD17B3AKR1C3AKR1C2SLC9A1
SCHEMBL394183 0.80 AKR1C3 (0.66) ALDH1A1HSD17B3AKR1C3AKR1C2SLC9A1
SCHEMBL22202969 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B3AKR1C3AKR1C2SLC6A19
SCHEMBL6727057 0.79 AKR1C3 (0.47) ALDH1A1HSD17B3AKR1C3AKR1C2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 EP 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885HSD17B3 1855/4885AKR1C3 427/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885HSD17B3 1855/4885AKR1C3 427/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885HSD17B3 1855/4885AKR1C3 427/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885HSD17B3 1855/4885AKR1C3 427/4885

“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.