SCHEMBL4043979

SCHEMBL4043979

CCCCC1(C2=CC=CCC2=O)C(=O)NN(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
GAA P10253 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.38
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
MMP3 P08254 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP2C19 P33261 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
SCHEMBL68540 0.79 MMP2 (0.54) ELANEGAAMEN1KMT2AALOX12
SCHEMBL4412405 0.72 GAA (0.50) ELANEGAAMEN1KMT2AALOX12
SCHEMBL8597730 0.71 MMP2 (0.48) ELANEGAAMEN1KMT2AALOX12
SCHEMBL267675 0.64 ELANE (0.56) ELANEGAAMEN1KMT2AALOX12
SCHEMBL265915 0.62 GAA (0.41) ELANEGAAMEN1KMT2AALOX12
SCHEMBL29819552 0.62 LMNA (0.73) ELANEMEN1KMT2AMMP2MMP9
SCHEMBL12997852 0.62 CYP2C19 (0.71) ELANEGAAMEN1KMT2AALOX12
SCHEMBL28822554 0.61 GAA (0.51) GAAMEN1KMT2AALOX12KDM4E
SCHEMBL7481702 0.59 MMP2 (0.64) ELANEGAAMEN1KMT2AALOX12
SCHEMBL3633588 0.59 KMT2A (0.37) ELANEGAAMEN1KMT2AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4734276-A L-lysine pyruvate and l- histidine pyruvate and their use in therapy of tissue and mucosa damage INSTITUT DR. ZIEGLER (CH) 1988-03-29 US claimed
EP-4472606-A1 COMPOSITIONS (III) Symrise AG (DE) 2024-12-11 EP disclosed
WO-2023147852-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2023-08-10 WO disclosed
US-11535584-B2 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation SYMRISE AG (DE) 2022-12-27 US disclosed
US-20220249535-A1 COMPOSITIONS COMPRISING NICOTINAMIDE ADENINE DINUCLEOTIDE-RELATED COMPOUNDS AND USE THEREOF REJUVENATION THERAPEUTICS (US) 2022-08-11 US disclosed
US-20210040028-A1 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation SYMRISE AG (DE) 2021-02-11 US disclosed
WO-2020206160-A1 COMPOSITIONS COMPRISING NICOTINAMIDE ADENINE DINUCLEOTIDE-RELATED COMPOUNDS AND USE THEREOF REJUVENATION THERAPEUTICS (US) 2020-10-08 WO disclosed
US-20190276386-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS BACKES MICHAEL (DE) 2019-09-12 US disclosed
US-8354392-B2 Drug-introduced photo-crosslinked hyaluronic acid derived gel SEIKAGAKU CORPORATION (JP) 2013-01-15 US disclosed
US-20090118348-A1 DRUG-INTRODUCED PHOTO-CROSSLINKED HYALURONIC ACID DERIVED GEL SEIKAGAKU CORPORATION (JP) 2009-05-07 US disclosed
WO-2008145733-A3 NOVEL CHEMICAL COMPOUNDS, PRODUCTION THEREOF, AND USE THEREOF UNIV LEIPZIG (DE) 2009-05-07 WO disclosed
WO-2008145733-A2 NOVEL CHEMICAL COMPOUNDS, PRODUCTION THEREOF, AND USE THEREOF UNIVERSITÄT LEIPZIG (DE) 2008-12-04 WO disclosed
EP-1905456-A1 DRUG-CONTAINING PHOTOCROSSLINKED HYALURONIC ACID DERIVATIVE GEL SEIKAGAKU CORPORATION (JP) 2008-04-02 EP disclosed
US-4734276-A L-lysine pyruvate and l- histidine pyruvate and their use in therapy of tissue and mucosa damage INSTITUT DR. ZIEGLER (CH) 1988-03-29 US disclosed
US-4145444-A 4-BUTYL-BENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4124726-A 2-FLUORO-4'-ALKYLBENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1978-11-07 US 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-20220249535-A1 COMPOSITIONS COMPRISING NICOTINAMIDE ADENINE DINUCLEOTIDE-RELATED COMPOUNDS AND USE THEREOF NAMPT, NQO1, NADK ELANE 765/4885GAA 670/4885MEN1 3110/4885
US-11535584-B2 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation TAS2R46, TAS2R50, TAS1R1 ELANE 2188/4885GAA 1660/4885MEN1 2203/4885
US-20190276386-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS TAS2R4, HTR4, TAS2R20 ELANE 4227/4885GAA 1971/4885MEN1 2502/4885
US-20210040028-A1 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation TAS2R46, TAS2R50, TAS1R1 ELANE 2188/4885GAA 1660/4885MEN1 2203/4885

“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.