SCHEMBL13714149

SCHEMBL13714149

CCc1c(C)cc(C)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.48
▸ ALDH1A1 P00352 8/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ SRC P12931 2/20 0.39
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ LMNA P02545 2/20 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
SCHEMBL327084 0.77 HRH3 (0.41) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL28866503 0.75 ALDH1A1 (0.35) ERN1ALDH1A1SMN1; SMN2SRCTSHR
SCHEMBL28221684 0.73 ALDH1A1 (0.41) ERN1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1312151 0.73 ERN1 (0.56) ERN1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL18966864 0.73 KMT2A (0.40) ALDH1A1KMT2AKDM4ETSHRHRH3
SCHEMBL14877416 0.73 ERN1 (0.56) ERN1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL29818729 0.72 ALDH1A1 (0.36) ERN1ALDH1A1SMN1; SMN2KDM4ESRC
SCHEMBL686293 0.71 ERN1 (0.54) ERN1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9712548 0.71 SRC (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTSRC
SCHEMBL5530294 0.71 ALDH1A1 (0.56) ERN1ALDH1A1KMT2ASMN1; SMN2MEN1

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-7572927-B2 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2009-08-11 — — US disclosed
US-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2008-08-14 — — 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-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound DDT, OXER1, OSTC ERN1 4262/4885ALDH1A1 1259/4885KMT2A 538/4885

“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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