SCHEMBL20439112

SCHEMBL20439112

N=C1CCCc2c1cnn2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 2/20 0.46
SLC2A1 P11166 1/20 0.44
RECQL P46063 1/20 0.43
AADAT Q8N5Z0 1/20 0.40
ELANE P08246 1/20 0.39
ALDH1A1 P00352 5/20 0.38
PKM P14618 3/20 0.38
HPGD P15428 3/20 0.36
PPARG P37231 2/20 0.36
NCOA2 Q15596 2/20 0.36
NCOA1 Q15788 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6663384 0.82 ELANE (0.55) LMNAHTTTSHRRAB9ARECQL
SCHEMBL20423850 0.79 AADAT (0.40) SMN1; SMN2LMNAHTTTSHRRAB9A
SCHEMBL20423851 0.79 AADAT (0.40) SMN1; SMN2LMNAHTTTSHRRAB9A
SCHEMBL20458076 0.79 AADAT (0.40) SMN1; SMN2LMNAHTTTSHRRAB9A
SCHEMBL9220188 0.76 AADAT (0.47) SMN1; SMN2LMNAHTTTSHRRECQL
SCHEMBL9219795 0.70 PLK4 (0.41) LMNATSHRRAB9ARECQLAADAT
SCHEMBL9219418 0.70 TSHR (0.40) SMN1; SMN2LMNAHTTTSHRRECQL
SCHEMBL9222639 0.69 AADAT (0.44) SMN1; SMN2LMNAHTTTSHRRAB9A
SCHEMBL9222643 0.69 AADAT (0.44) SMN1; SMN2LMNAHTTTSHRRAB9A
SCHEMBL9221036 0.67 TSHR (0.41) TSHRRECQLAADATBRD4KDM4E

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-10323005-B2 Aromatic compound production method FUJIFILM CORPORATION (JP) 2019-06-18 US disclosed
US-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2018-08-02 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 (2 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-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD PAH, AHR, TYR SMN1; SMN2 3987/4885LMNA 4582/4885HTT 899/4885
US-10323005-B2 Aromatic compound production method PAH, AHR, TYR SMN1; SMN2 3987/4885LMNA 4582/4885HTT 899/4885

“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.