SCHEMBL143642

SCHEMBL143642

C/C([C]=O)=C\c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
AKR1C3 P42330 1/20 0.54
FBP1 P09467 3/20 0.48
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1C1 Q04828 1/20 0.42
MCL1 Q07820 1/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL143643 1.00 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3FBP1RECQL
SCHEMBL8724395 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPT
SCHEMBL28121558 0.80 CYP2A6 (0.44) ALDH1A1AKR1C3HTTTDP1MEN1
SCHEMBL21852333 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6844028 0.79 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3FBP1RECQL
SCHEMBL27526829 0.78 CYP2C9 (0.49) ALDH1A1AKR1C3FBP1HTTAKR1C1
SCHEMBL9686915 0.78 KDM4E (0.50) ALDH1A1FBP1MEN1KMT2AMAPT
SCHEMBL28121571 0.78 TP53 (0.47) ALDH1A1FBP1TDP1MEN1KMT2A
SCHEMBL5804207 0.77 FBP1 (0.48) ALDH1A1TSHRAKR1C3FBP1RECQL
SCHEMBL5804209 0.77 FBP1 (0.48) ALDH1A1TSHRAKR1C3FBP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
WO-2008128038-A2 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-23 WO claimed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
CN-1370526-A Treating method of nuclear factor-KB mediated diseases and dysfuction WANER LONGBER CO (US) 2002-09-25 CN claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1996028450-A1 MORPHINE 3-ESTERS EUROCELTIQUE S.A. (LU) 1996-09-19 WO claimed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 US disclosed
US-20240034845-A1 POLYMER PARTICLES QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2024-02-01 US disclosed
EP-3384549-B1 SODIUM-ION ELECTROLYTE COMPOSITION UNIV DEAKIN (AU) 2024-01-17 EP disclosed
EP-0336230-A2 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP disclosed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US disclosed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 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 (2 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-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 ALDH1A1 2037/4885TSHR 3657/4885AKR1C3 2682/4885
US-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP ALDH1A1 1883/4885TSHR 2551/4885AKR1C3 2658/4885

“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.