SCHEMBL4728852

SCHEMBL4728852

CCN(CC)CCCC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.41
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
PAOX Q6QHF9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC2A1 P11166 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL7678665 0.92 TSHR (0.50) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL2418443 0.90 TSHR (0.54) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL445535 0.83
SCHEMBL1638658 0.82 TSHR (0.55) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL7677802 0.82 TSHR (0.62) TSHRHIF1AALDH1A1FAAHTRPV1
Glutaral SCHEMBL1041199 0.81 HIF1A (0.43) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL1284275 0.81 ALDH1A1 (0.43) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL1283318 0.81 ALDH1A1 (0.43) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL9431925 0.80 TSHR (0.61) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL29950905 0.78 TSHR (0.50) TSHRALDH1A1FAAHTRPV1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005107744-A1 NERVE DAMAGE ROELANTS, IVO (BE) 2005-11-17 WO claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-3275904-B1 WATER DISPERSION OF GEL PARTICLES, PRODUCING METHOD THEREOF, AND IMAGE FORMATION METHOD FUJIFILM CORP (JP) 2021-12-01 EP disclosed
US-20190298681-A1 Nanoliposomal Targeting of Ephrin Receptor A2 (Epha2) and Related Diagnostics MERRIMACK PHARMACEUTICALS, INC. 2019-10-03 US disclosed
EP-3275904-A1 AQUEOUS DISPERSION OF GEL PARTICLES, METHOD FOR PRODUCING SAME, AND IMAGE FORMATION METHOD FUJIFILM Corporation (JP) 2018-01-31 EP disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
WO-2008034202-A2 USE OF IVERMECTIN AND DERIVATES THEREOF FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-03-27 WO disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
WO-2005107744-A1 NERVE DAMAGE ROELANTS, IVO (BE) 2005-11-17 WO disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed
US-5523495-A REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-06-04 US disclosed
EP-0404077-B1 Process for producing propargylcarbinol compounds SUMITOMO CHEMICAL CO (JP) 1994-06-01 EP disclosed
US-5258529-A Dehydrohalogenation of corresponding alkene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-02 US disclosed
EP-0404077-A1 Process for producing propargylcarbinol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-27 EP disclosed
EP-0148883-B1 ALLOPURINOL PRODRUGS A/S GEA Farmaceutisk Fabrik (DK) 1990-02-14 EP disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed
US-4694006-A Acyl- or acyloxymethyl-allopurinol prodrugs A/S GEA (DK) 1987-09-15 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 (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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885HIF1A 585/4885ALDH1A1 492/4885
US-20190298681-A1 Nanoliposomal Targeting of Ephrin Receptor A2 (Epha2) and Related Diagnostics EPHA2, EPHB2, EPHB1 TSHR 1708/4885HIF1A 1294/4885ALDH1A1 1012/4885

“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.