SCHEMBL12412982

SCHEMBL12412982

Cc1cc2c(s1)c1sc3c4cc5sc6c(sc7c8sc(C)cc8n(C)c67)c5cc4sc3c1n2C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 19/20 0.40
PKLR P30613 17/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 3/20 0.36
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL12413088 0.79 PKM (0.36) PKMPKLRRAB9AHSD17B10TSHR
SCHEMBL12412978 0.76 PKM (0.33) PKMPKLRRAB9ATDP1NPSR1
SCHEMBL12412983 0.76 PKM (0.35) PKMPKLRRAB9ATDP1GFER
SCHEMBL9961326 0.75 KDM4E (0.42) PKMPKLRRAB9ATDP1GFER
SCHEMBL12412984 0.75 PKM (0.40) PKMPKLRRAB9ATDP1GFER
SCHEMBL12412899 0.75 PKM (0.35) PKMPKLRRAB9A
SCHEMBL12504748 0.73 PKM (0.32) PKMPKLRRAB9A
SCHEMBL12412999 0.72 PKM (0.37) PKMPKLRRAB9ATDP1ALDH1A1
SCHEMBL12412901 0.70 PKM (0.30) PKMPKLRRAB9A
SCHEMBL12412819 0.69 PKM (0.33) PKMPKLRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 PKM 4352/4885PKLR 3933/4885RAB9A 2655/4885

“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.