SCHEMBL1004976

SCHEMBL1004976

CC(=O)CC1C(=O)CCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.35
TLR4 O00206 5/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5697291 0.78 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1GAACA1
SCHEMBL12657487 0.78 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1GAATLR4
SCHEMBL1219343 0.74 MAPT (0.59) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL1397437 0.74 NPC1 (0.45) ALDH1A1GAATLR4CA1CA2
Water SCHEMBL9787126 0.72 CYP2D6 (0.47) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL16495228 0.72 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL1188324 0.72 NPC1 (0.46) ALDH1A1GAACA1CA2CA4
SCHEMBL12861148 0.71 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL1981599 0.71 CA1 (0.46) ALDH1A1GAACA1CA2CA4
SCHEMBL28365490 0.71 CA1 (0.46) ALDH1A1GAACA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US claimed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO claimed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
EP-2771321-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2014-09-03 EP disclosed
EP-2451780-B1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4-(ACETYLAMINO))-3-[(4-CHLORO-PHENYL)THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
EP-2451780-B1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4-(ACETYLAMINO))-3-[(4-CHLORO-PHENYL)THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO disclosed
US-8227622-B2 Pharmaceutical process and intermediates 714 ASTRAZENECA AB (SE) 2012-07-24 US disclosed
EP-2451780-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID AstraZeneca AB (SE) 2012-05-16 EP disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 ASTRAZENECA AB (SE) 2011-02-24 US disclosed
WO-2011004182-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO] -2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2011-01-13 WO disclosed
WO-2011004182-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO] -2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2011-01-13 WO disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 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 (5 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-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HDAC1, HDAC5, HDAC3 ALDH1A1 772/4885MAPT 1106/4885L3MBTL1 4194/4885
US-20110046394-A1 Pharmaceutical Process and Intermediates 714 CYP3A4, CYP4A11, CYP4B1 ALDH1A1 539/4885MAPT 3154/4885L3MBTL1 4687/4885
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives QDPR, CCND2, CCND1 ALDH1A1 143/4885MAPT 3752/4885L3MBTL1 4480/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ALDH1A1 199/4885MAPT 3226/4885L3MBTL1 631/4885
US-20110312945-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 ALDH1A1 851/4885MAPT 4649/4885L3MBTL1 3484/4885

“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.