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SCHEMBL18787482

SCHEMBL18787482

CC(=O)c1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ HMGB1 P09429 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GGT1 P19440 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL7754235 0.79 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL18803868 0.79 NFE2L2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7698624 0.77 TSHR (0.44) CA1CA2HSD17B10KDM4EALDH1A1
SCHEMBL31022799 0.76 HTT (0.43) CA9HSD17B10KDM4EALDH1A1KMT2A
SCHEMBL863103 0.75 MAOB (0.46) ALDH1A1KMT2AHPGDELANEL3MBTL1
SCHEMBL3321749 0.75 MAOB (0.50) ALDH1A1KMT2AMAOB
SCHEMBL13442165 0.75 HSD17B10 (0.37) HSD17B10KDM4EALDH1A1KMT2ATSHR
SCHEMBL7095778 0.75 LMNA (0.42) ALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL13442164 0.74 SLC6A3 (0.43) CA1CA2CA9HSD17B10KDM4E
SCHEMBL22032632 0.73 LMNA (0.46) KDM4EALDH1A1THRBKMT2ATSHR

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
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 — — US disclosed
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 — — US disclosed
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 — — US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 — — US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 — — US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 — — 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-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS ACACB, ACACA, ZKSCAN2 CA12 600/4885CA1 1595/4885CA2 1256/4885

“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.