SCHEMBL22966286

SCHEMBL22966286

Cc1cc(N)ccc1Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
RAB9A P51151 4/20 0.62
MAPT P10636 4/20 0.62
NPC1 O15118 2/20 0.62
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TEAD4 Q15561 1/20 0.40
FGFR2 P21802 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2988842 0.90 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL8494426 0.90 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL310623 0.90 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL29764001 0.90 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL2992329 0.88 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL8762826 0.87 ALDH1A1 (0.54) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL3003478 0.86 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL1155719 0.86 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL31457276 0.86 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTNPC1HPGD
SCHEMBL29688467 0.86 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTNPC1HPGD

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-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF Dongguan HEC Pesticides R&D Co., Ltd. (CN) 2021-02-11 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-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF NQO2, RDX, RIN1 ALDH1A1 1655/4885RAB9A 73/4885MAPT 4397/4885

“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.