SCHEMBL6650101

SCHEMBL6650101

O=C(CC=CCC(=O)OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
NAAA Q02083 2/20 0.50
HTT P42858 2/20 0.49
CYP19A1 P11511 2/20 0.46
EPHX1 P07099 2/20 0.46
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
MIF P14174 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL6711347 1.00 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL19134623 0.91 NAAA (0.51) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL11794607 0.89 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL11818717 0.89 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL11794602 0.89 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL11818704 0.89 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL5083178 0.88 NAAA (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL4202317 0.88 NAAA (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL11800249 0.87 NAAA (0.41) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL11800247 0.87 NAAA (0.41) CYP2C19NAAAHTTCYP19A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4349881-A1 POLYESTER MATERIAL AND POLYESTER PRODUCT, AND PREPARATION METHODS THEREFOR AND USE THEREOF Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences (CN) 2024-04-10 EP disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-6828464-B2 Preparation of cyclopentenones BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US disclosed
US-20040102655-A1 Preparation of cyclopentenoes BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1422212-A1 Process for preparing cyclopentenone BASF AKTIENGESELLSCHAFT (DE) 2004-05-26 EP disclosed
EP-0297447-B1 METHOD FOR THE PREPARATION OF 2-CYCLOPENTENONES BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
EP-0297447-A2 Method for the preparation of 2-cyclopentenones BASF Aktiengesellschaft (DE) 1989-01-04 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 (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-20040102655-A1 Preparation of cyclopentenoes CYP17A1, CYP2F1, CYP2S1 CYP2C19 68/4885NAAA 3308/4885HTT 3412/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP2C19 4668/4885NAAA 2848/4885HTT 1647/4885

“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.