SCHEMBL315304

SCHEMBL315304

C[CH]CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 3/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
ALDH1A1 P00352 6/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 2/20 0.52
HIF1A Q16665 2/20 0.52
TRPA1 O75762 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 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
SCHEMBL10020655 0.83 MAPT (0.52) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL10881094 0.83 MAPT (0.52) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL11070858 0.81 TDP1 (0.61) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL305090 0.79 MAPK1 (0.58) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL10507643 0.78 MAPT (0.52) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL28180778 0.78 L3MBTL1 (0.57) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL7653421 0.78 NPC1 (0.55) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL6975977 0.78 GSK3B (0.57) MAPTKMT2AMEN1CYP3A4HPGD
SCHEMBL8612273 0.77 TDP1 (0.56) MAPTKMT2AMAPK1MEN1TDP1
SCHEMBL11196572 0.77 GSK3B (0.58) MAPTKMT2AMAPK1MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482399-A Catalysis of epoxy resin formulations containing poorly soluble catalysts EVONIK DEGUSSA GMBH 2012-05-30 CN disclosed
CN-102414243-A Catalysis of epoxy resin formulations EVONIK DEGUSSA GMBH 2012-04-11 CN disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
CN-1156455-A Nonel naphthyridine derivatives and medical composition thereof YAMANOUCHI PHARMACUEITCAL CO L (JP) 1997-08-06 CN disclosed
EP-0469547-B1 4-Amino-delta4,6-steroids and their use as 5alpha-reductase inhibitors MERRELL PHARMA INC (US) 1996-05-15 EP disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
US-5189032-A Blocking the formation of dihydroxytestosterone from testosterone MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
US-5130424-A Acne, skin disorders, scandular disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-14 US disclosed
EP-0469547-A2 4-Amino-delta4,6-steroids and their use as 5alpha-reductase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-02-05 EP disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4518/4885KMT2A 1134/4885MAPK1 3198/4885

“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.