SCHEMBL13850044

SCHEMBL13850044

C/C(=C/C(=O)c1ccccc1)Nc1ccccc1Sc1c(C)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.46
▸ RAB9A P51151 9/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPC1 O15118 7/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GAA P10253 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL13846416 0.93 MAPT (0.49) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL13846425 0.92 MAPT (0.48) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL15504785 0.85 MAPT (0.42) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL13846434 0.80 MAPT (0.48) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL13846431 0.80 MAPT (0.62) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL13846413 0.79 MAPT (0.49) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL13846427 0.78 MAPT (0.56) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL15504788 0.78 L3MBTL1 (0.61) MAPTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL15504787 0.78 MAPT (0.43) MAPTRAB9AHPGDCYP1A2CYP3A4
SCHEMBL15504789 0.77 L3MBTL1 (0.51) MAPTRAB9AHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 — — 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-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885RAB9A 4804/4885HPGD 1943/4885

“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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