SCHEMBL970013

SCHEMBL970013

COc1cc(C2=CCCC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
QDPR P09417 3/20 0.42
ACMSD Q8TDX5 2/20 0.42
KDM1A O60341 1/20 0.40
PAX8 Q06710 1/20 0.40
TRIM24 O15164 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL9437194 0.84 PTGS2 (0.47) PDGFRBPDGFRAQDPRACMSDTRIM24
SCHEMBL27553177 0.78 QDPR (0.70) QDPRCD274
SCHEMBL17335722 0.78 KDM1A (0.46) PDGFRBPDGFRAKDM1APAX8CD274
SCHEMBL18487978 0.75 ACMSD (0.41) PDGFRBPDGFRAACMSDPAX8HDAC1
SCHEMBL29968074 0.75 PDGFRB (0.43) PDGFRBPDGFRAQDPRACMSDTRIM24
SCHEMBL1257285 0.75 ACMSD (0.49) ACMSDHDAC1HDAC2PTGS2
SCHEMBL8939884 0.74 KCNH2 (0.47) PDGFRBPDGFRAACMSDALDH1A1PTGS2
SCHEMBL30868397 0.74 ALDH1A1 (0.51) PDGFRBPDGFRAACMSDALDH1A1
SCHEMBL1630255 0.73 NPC1 (0.57) PDGFRBPDGFRAACMSDPTGS2
SCHEMBL6641330 0.73 PDE4A (0.50) PDGFRBPDGFRAQDPRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790870-A1 CYCLOPENTANE COMPOUNDS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-03-17 EP disclosed
WO-2019215268-A1 CYCLOPENTANE COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP PDGFRB 974/4885PDGFRA 2103/4885QDPR 1884/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP PDGFRB 974/4885PDGFRA 2103/4885QDPR 1884/4885

“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.