SCHEMBL22158987

SCHEMBL22158987

CC(C)(N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.52
TSHR P16473 1/20 0.52
MAOA P21397 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
SOS1 Q07889 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PLA2G2A P14555 1/20 0.44
MEN1 O00255 2/20 0.42

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
SCHEMBL20558768 0.83 LTA4H (0.52) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL799841 0.82 RAB9A (0.65) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL2463038 0.82 LTA4H (0.57) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL10038560 0.82 LTA4H (0.57) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL19392583 0.82 RAB9A (0.65) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL9248118 0.80 ALDH1A1 (0.56) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL15372301 0.78 LTA4H (0.52) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL547992 0.78 LTA4H (0.52) LTA4HTSHRMAOANPC1RAB9A
SCHEMBL6145 0.78 KCNN4 (0.58) TSHRMAPTALDH1A1MAPK1AKT1
SCHEMBL13886626 0.78 TAAR1 (0.67) LTA4HTSHRMAOANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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 (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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A LTA4H 1969/4885TSHR 4227/4885MAOA 1461/4885

“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.