SCHEMBL2901946

SCHEMBL2901946

CC(C)(C)c1ccc(Oc2cc[c]cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.38
FGFR2 P21802 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KIF11 P52732 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL2894791 0.83 MAPT (0.43) RAB9AKDM4EMAPTMAPK1NPSR1
SCHEMBL2903224 0.82 MAPT (0.43) RAB9AKDM4EMAPTMAPK1NPSR1
SCHEMBL2894972 0.81 MEN1 (0.52) RAB9APOLBKDM4EMAPTALDH1A1
SCHEMBL2903058 0.81 MEN1 (0.44) RAB9APOLBKDM4EMAPTALDH1A1
SCHEMBL2899323 0.77 MAPT (0.39) KDM4EMAPTALDH1A1MAPK1HTT
SCHEMBL2901814 0.77 L3MBTL1 (0.44) RAB9AKDM4EMAPTALDH1A1HPGD
SCHEMBL1712271 0.77 MEN1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL315475 0.77 ALDH1A1 (0.43) RAB9AKDM4EMAPTALDH1A1HPGD
SCHEMBL2903371 0.77 SCN5A (0.37) RAB9AMAPTNPC1LMNAL3MBTL1
SCHEMBL2894886 0.77 HRH3 (0.38) RAB9APOLBKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 US disclosed
WO-2016057931-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-04-14 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 RAB9A 1219/4885POLB 3040/4885KDM4E 2013/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885POLB 2949/4885KDM4E 762/4885

“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.