SCHEMBL12413058

SCHEMBL12413058

Cc1ccc(-n2c3cc(C)ccc3c3c2c2cc4c(cc2n3-c2ccc(C)cc2)c2c(c3ccc(C)cc3n2-c2ccc(C)cc2)n4-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 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
SCHEMBL12413055 0.84 HTT (0.32) HTTSMN1; SMN2USP14
SCHEMBL12413050 0.84 HTT (0.32) HTTPOLBCYP19A1NPC1RAB9A
SCHEMBL9973674 0.84 HTT (0.44) HTTKDM4EL3MBTL1ALOX15TSHR
SCHEMBL12413059 0.80 THRB (0.32) HTTKDM4EALDH1A1PPARGTHRB
SCHEMBL14096661 0.79 METAP2 (0.37) HTTKDM4EL3MBTL1ALOX15TSHR
SCHEMBL25752370 0.78 HTT (0.41) HTTKDM4ETSHRPOLBNOTUM
SCHEMBL12502307 0.78 — —
SCHEMBL12412956 0.78 HTT (0.36) HTTKDM4EL3MBTL1ALOX15TSHR
SCHEMBL12413053 0.77 ALDH1A1 (0.33) HTTKDM4EGAAALDH1A1HPGD
SCHEMBL12413051 0.77 ESR2 (0.33) HTTKDM4EALDH1A1

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-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 HTT 4130/4885KDM4E 1286/4885L3MBTL1 1860/4885

“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.

Send feedback