SCHEMBL4126877

SCHEMBL4126877

C=CCOc1cc(F)ccc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
MAOB P27338 5/20 0.46
MAOA P21397 2/20 0.46
LIG1 P18858 1/20 0.46
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 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
SCHEMBL20471839 0.86 TSHR (0.56) FLT3LIG1TSHRGAAMAPT
SCHEMBL7711829 0.86 MAPT (0.43) FLT3MAOBMAOALIG1TSHR
SCHEMBL2545851 0.85 FFAR4 (0.55) FLT3LIG1TSHRGAAMAPT
SCHEMBL20471842 0.85 TSHR (0.48) FLT3LIG1TSHRGAAMAPT
SCHEMBL6121031 0.83 FLT3 (0.47) FLT3LIG1TSHRGAAMAPT
SCHEMBL11821446 0.82 GAA (0.62) FLT3MAOBMAOALIG1TSHR
SCHEMBL3955768 0.82 FLT3 (0.66) FLT3TSHRGAAMAPTL3MBTL1
SCHEMBL2187527 0.82 ALDH1A1 (0.50) FLT3MAOBMAOALIG1TSHR
SCHEMBL4271221 0.81 CYP3A4 (0.61) MAOBMAOATSHRMAPTL3MBTL1
SCHEMBL30628273 0.81 CYP3A4 (0.61) MAOBMAOATSHRMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B FLT3 4470/4885MAOB 903/4885MAOA 810/4885
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 FLT3 1736/4885MAOB 1269/4885MAOA 1717/4885

“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.