SCHEMBL23761627

SCHEMBL23761627

COc1cc(/C=C/C=C2\Cc3ccc(C)cc3C2=O)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.67
▸ DNMT1 P26358 1/20 0.64
▸ CES2 O00748 11/20 0.61
▸ MIF P14174 2/20 0.60
▸ TXNRD1 Q16881 1/20 0.54
▸ CXCL12 P48061 1/20 0.53
▸ XDH P47989 1/20 0.50

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
SCHEMBL23753476 0.87 MIF (0.75) ABCB1DNMT1CES2MIFTXNRD1
SCHEMBL23753475 0.87 MIF (0.75) ABCB1DNMT1CES2MIFTXNRD1
SCHEMBL26411651 0.86 ABCB1 (0.64) ABCB1DNMT1CES2MIFTXNRD1
SCHEMBL23764941 0.86 ABCB1 (0.64) ABCB1DNMT1CES2MIFTXNRD1
SCHEMBL28221168 0.76 CES2 (1.00) CES2MIFCXCL12
SCHEMBL30214406 0.76 CES2 (1.00) CES2MIFCXCL12
SCHEMBL28221170 0.76 CES2 (1.00) CES2MIFCXCL12
SCHEMBL28571639 0.76 CES2 (0.82) ABCB1CES2MIFCXCL12
SCHEMBL28571641 0.76 CES2 (0.82) ABCB1CES2MIFCXCL12
SCHEMBL14937330 0.75 ABCB1 (1.00) ABCB1CES2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398238-A1 TARGETED CONTRAST AGENTS FOR MRI OF ALPHA-SYNUCLEIN DEPOSITION TEXAS CHILDREN'S HOSPITAL (US) 2023-12-14 — — US disclosed
WO-2021163585-A1 TARGETED CONTRAST AGENTS FOR MRI OF ALPHA-SYNUCLEIN DEPOSITION TEXAS CHILDREN'S HOSPITAL (US) 2021-08-19 — — WO disclosed
US-20210252170-A1 TARGETED CONTRAST AGENTS FOR MRI OF ALPHA-SYNUCLEIN DEPOSITION TEXAS CHILDREN'S HOSPITAL (US) 2021-08-19 — — 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-20210252170-A1 TARGETED CONTRAST AGENTS FOR MRI OF ALPHA-SYNUCLEIN DEPOSITION SNCA, APOL1, LPAR3 ABCB1 1727/4885DNMT1 4452/4885CES2 2346/4885
US-20230398238-A1 TARGETED CONTRAST AGENTS FOR MRI OF ALPHA-SYNUCLEIN DEPOSITION SNCA, APOL1, LPAR3 ABCB1 1727/4885DNMT1 4452/4885CES2 2346/4885

“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.

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