SCHEMBL9561013

SCHEMBL9561013

Fc1ccc(Oc2cccc(C3OCCO3)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.40
HTR1A P08908 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 3/20 0.40
HSPB1 P04792 2/20 0.40
TRPA1 O75762 1/20 0.39
AR P10275 1/20 0.39
MAPK14 Q16539 3/20 0.38
HTR2A P28223 1/20 0.36
OPRK1 P41145 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL2537314 0.89 HTR1A (0.39) SLC6A4HTR1ASLC6A2SLC6A3MEN1
SCHEMBL2534237 0.84 PARP10 (0.43) SLC6A4HTR1ASLC6A2SLC6A3HTR2A
SCHEMBL2535602 0.82 ALOX5 (0.48) MEN1KMT2APARP14PARP10
SCHEMBL20546804 0.77 ALDH1A1 (0.47) HTR1AAR
SCHEMBL20546858 0.77 LDHA (0.39) SLC6A4HTR1ASLC6A2SLC6A3AR
SCHEMBL30644953 0.77 ALDH1A1 (0.47) HTR1AAR
SCHEMBL20546683 0.77 ADAM17 (0.40) ARMEN1KMT2A
SCHEMBL7323682 0.77 TAAR1 (0.46) HTR2AMEN1KMT2A
SCHEMBL2542050 0.76 SIRT2 (0.39) MEN1KMT2A
SCHEMBL10824462 0.76 TAAR1 (0.50) MEN1KMT2APARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
CN-110914241-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
US-10246451-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 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 (3 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-10246451-B2 Propionic acid derivatives and methods of use thereof ITGA4, ITGB3, ITGB5 SLC6A4 876/4885HTR1A 587/4885SLC6A2 1719/4885
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB4 SLC6A4 877/4885HTR1A 654/4885SLC6A2 1595/4885
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB5 SLC6A4 876/4885HTR1A 587/4885SLC6A2 1719/4885

“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.