SCHEMBL5494789

SCHEMBL5494789

O=C(O)C(O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.68
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
ALOX5 P09917 1/20 0.54
AKR1C3 P42330 1/20 0.53
SRD5A2 P31213 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPY5R Q15761 1/20 0.47
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
MAOB P27338 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44

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
SCHEMBL10831605 1.00 PTGS1 (0.68) PTGS1LMNAMAPK1MEN1CYP2D6
SCHEMBL10831356 1.00 PTGS1 (0.68) PTGS1LMNAMAPK1MEN1CYP2D6
SCHEMBL10831106 0.86 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL7554763 0.86 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL8959967 0.86 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL8796964 0.84 PTGS1 (0.70) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10831170 0.83 PTGS1 (0.60) PTGS1MAPK1MEN1CYP2D6KMT2A
SCHEMBL10831167 0.83 PTGS1 (0.60) PTGS1MAPK1MEN1CYP2D6KMT2A
SCHEMBL23053345 0.83 LMNA (0.65) PTGS1LMNAMAPK1SRD5A2NPY5R
SCHEMBL7453363 0.83 LMNA (0.65) PTGS1LMNAMAPK1SRD5A2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102807614-A Hapten synthesis method of pyrethroids alpha-carboxy ethyl sulfur formyl deltamethrin HUAIYIN INST TECHNOLOGY 2012-12-05 CN claimed
CN-100340543-C Cyfluthrin hapten compound, its synthesis method and use UNIV ZHEJIANG (CN) 2007-10-03 CN claimed
US-4607119-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-19 US claimed
JP-54016442-A None JP disclosed
JP-54130536-A None JP disclosed
JP-53098938-A None JP disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
US-20150094474-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2015-04-02 US disclosed
EP-2825527-A1 AGRICULTURAL CHEMICALS Redx Pharma Limited (GB) 2015-01-21 EP disclosed
US-4303585-A 3-Oxa-bicyclo (3,1,0)-hexan-2-one intermediates ROUSSEL UCLAF (FR) 1981-12-01 US disclosed
US-4273727-A INSECTICIDE INTERMEDIATES ROUSSEL UCLAF (FR) 1981-06-16 US disclosed
EP-0005779-B1 PROCESS FOR THE PREPARATION OF ARYLGLYOXYLIC ACIDS BAYER AG (DE) 1980-11-26 EP disclosed
US-4218380-A OXIDATION OF THE A-HYDROXY-ARYLACETIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 US disclosed
EP-0005779-A2 Process for the preparation of arylglyoxylic acids BAYER AG (DE) 1979-12-12 EP disclosed
JP-S54130536-A OPTICAL ACTIVE CYANOO33PHENOXYBENZYLL2*2*3*33TETRAMETHYLL CYCLOPROPANE CARBOXYLATE AND INSECTICIDE MITICIDE CONTAINING THE SAME AS EFFECTIVE COMPONENT SUMITOMO CHEM CO LTD 1979-10-09 JP disclosed
US-4146554-A BY DEHYDRATION OF CORRESPONDING AMIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-27 US disclosed
JP-S5416442-A OPTICAL RESOLUTION OF 3-PHEOXYMANDELIC ACID SUMITOMO CHEM CO LTD 1979-02-07 JP disclosed
JP-S5398938-A NOVEL PROCESS FOR THEIR PREPARATION OF INSECTICIDES SUMITOMO CHEM CO LTD 1978-08-29 JP 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-20150094474-A1 AGRICULTURAL CHEMICALS DDT, SQOR, GPX4 PTGS1 890/4885LMNA 4681/4885MAPK1 2198/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 PTGS1 135/4885LMNA 4199/4885MAPK1 1813/4885

“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.