SCHEMBL20423850

SCHEMBL20423850

O/N=C1\CCCc2c1cnn2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.40
RECQL P46063 1/20 0.40
ELANE P08246 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 1/20 0.36
PKM P14618 1/20 0.36
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL20423851 1.00 AADAT (0.40) AADATRECQLELANEHPGDL3MBTL1
SCHEMBL6663384 0.79 ELANE (0.55) AADATRECQLELANEL3MBTL1TSHR
SCHEMBL20439112 0.79 SMN1; SMN2 (0.46) AADATRECQLELANEHPGDTSHR
SCHEMBL20458076 0.78 AADAT (0.40) AADATRECQLELANEHPGDTSHR
SCHEMBL9220188 0.73 AADAT (0.47) AADATRECQLELANEHPGDTSHR
SCHEMBL20434822 0.70 AADAT (0.40) AADATRECQLHPGDL3MBTL1TSHR
SCHEMBL20423847 0.70 AADAT (0.40) AADATRECQLHPGDL3MBTL1TSHR
SCHEMBL20423846 0.70 AADAT (0.40) AADATRECQLHPGDL3MBTL1TSHR
SCHEMBL5471716 0.70 PLK1 (0.57) ELANEHPGDL3MBTL1TSHRKDM4E
SCHEMBL5471715 0.70 PLK1 (0.57) ELANEHPGDL3MBTL1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357914-B1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORP (JP) 2019-11-20 EP disclosed
EP-3357914-B1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORP (JP) 2019-11-20 EP disclosed
US-10323005-B2 Aromatic compound production method FUJIFILM CORPORATION (JP) 2019-06-18 US disclosed
EP-3357914-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM Corporation (JP) 2018-08-08 EP disclosed
EP-3357914-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM Corporation (JP) 2018-08-08 EP disclosed
US-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2018-08-02 US disclosed
US-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2018-08-02 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 AADAT 44/4885RECQL 955/4885ELANE 4811/4885
US-10323005-B2 Aromatic compound production method PAH, AHR, TYR AADAT 44/4885RECQL 955/4885ELANE 4811/4885

“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.