SCHEMBL24236643

SCHEMBL24236643

COc1cc2c(C(=O)O)c(C(F)(F)F)n(Cc3ccccc3)c2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLA2G2A P14555 5/20 0.47
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 9/20 0.43
LMNA P02545 3/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL24236617 0.80 TSHR (0.45) PLA2G2ATSHRMAPTALDH1A1EDNRB
SCHEMBL24236610 0.75 S1PR3 (0.46) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL28811123 0.74 SRC (0.51) KMT2APLA2G2ATSHRMAPTALDH1A1
SCHEMBL29868526 0.74 SRC (0.51) KMT2APLA2G2ATSHRMAPTALDH1A1
SCHEMBL24236616 0.73 PLA2G2A (0.58) MEN1KMT2APLA2G2ATSHRALDH1A1
SCHEMBL28947614 0.69 CYP19A1 (0.57) MEN1KMT2APLA2G2ATSHRMAPT
SCHEMBL17469291 0.69 KMT2A (0.56) MEN1KMT2AL3MBTL1TSHRMAPT
SCHEMBL9370571 0.68 SRC (0.57) KMT2APLA2G2ATSHRMAPTALDH1A1
SCHEMBL6527378 0.67 KMT2A (0.62) MEN1KMT2AL3MBTL1TSHRMAPT
SCHEMBL2864474 0.67 ALDH1A1 (0.61) MEN1KMT2AL3MBTL1TSHRMAPT

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-20220031659-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-02-03 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-20220031659-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE SMN1; SMN2, BDNF, PYGB MEN1 4473/4885KMT2A 3912/4885L3MBTL1 1910/4885

“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.