SCHEMBL17016640

SCHEMBL17016640

C=Cc1ccc2c(c1)C1(CC2=O)CC(=O)c2ccc(C=C)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PGR P06401 4/20 0.33
▸ SRD5A1 P18405 1/20 0.32

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
SCHEMBL1808044 0.73 PGR (0.36) ALDH1A1ALKBACE1PGRSRD5A1
SCHEMBL31597656 0.72 SRD5A1 (0.40) ALDH1A1SRD5A1
SCHEMBL21052522 0.69 ALDH1A1 (0.40) ALDH1A1SRD5A1
SCHEMBL21052429 0.69 BCHE (0.47) ALDH1A1SRD5A1
SCHEMBL25699110 0.69 ALK (0.33) ALDH1A1ALKBACE1SRD5A1
SCHEMBL17201467 0.67 ALK (0.43) ALDH1A1ALK
SCHEMBL21052518 0.67 PBRM1 (0.53) ALDH1A1SRD5A1
SCHEMBL1815040 0.67 CASP1 (0.53) SRD5A1
SCHEMBL23730282 0.66 CFTR (0.41) ALDH1A1PGR
SCHEMBL3297666 0.66 ALDH1A1 (0.46) ALDH1A1SRD5A1

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-2900625-B1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES CO (US) 2016-10-26 — — EP disclosed
EP-2900709-B1 RIGID AND CONTORTED DIVINYL CROSSLINKERS 3M INNOVATIVE PROPERTIES CO (US) 2016-08-17 — — EP disclosed
US-9296668-B2 Polymerizable spirobisindane monomers and polymers prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 — — US disclosed
US-9296668-B2 Polymerizable spirobisindane monomers and polymers prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 — — US disclosed
US-9139674-B2 Rigid and contorted divinyl crosslinkers 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-22 — — US disclosed
US-9139674-B2 Rigid and contorted divinyl crosslinkers 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-22 — — US disclosed
US-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2015-08-27 — — US disclosed
US-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2015-08-27 — — US disclosed
US-20150232592-A1 RIGID AND CONTORTED DIVINYL CROSSLINKERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-20 — — US disclosed
US-20150232592-A1 RIGID AND CONTORTED DIVINYL CROSSLINKERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-20 — — 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 (1 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-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM WEE1, PKD1, WEE2 ALDH1A1 792/4885ALK 3111/4885BACE1 4797/4885

“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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