SCHEMBL8738465

SCHEMBL8738465

CC(C)(C)c1ccc2c(c1)C=CCN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1D P28221 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1B P28222 1/20 0.32
ADRA1B P35368 1/20 0.32
KIF11 P52732 4/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL762345 0.86 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1257327 0.72 AHR (0.35) ALDH1A1HSD17B10TDP1HTR1DADRA2A
SCHEMBL9453911 0.72 DRD2 (0.41)
SCHEMBL2194416 0.72 KDM4E (0.32) TDP1KMT2AMEN1GAAMAPT
SCHEMBL4366398 0.71 PDE3B (0.41) ALDH1A1HSD17B10TDP1KMT2AMEN1
SCHEMBL5713760 0.71 HTR1D (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL8738571 0.71 ALDH1A1 (0.35) ALDH1A1HPGDCYP1A2KIF11GAA
SCHEMBL3503657 0.69 CYP2A6 (0.38) ALDH1A1HSD17B10TDP1KIF11TSHR
SCHEMBL6937571 0.68 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13354838 0.68 LMNA (0.34) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 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 (3 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-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885HPGD 3007/4885ALOX15 808/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 ALDH1A1 128/4885HPGD 1812/4885ALOX15 2070/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 ALDH1A1 128/4885HPGD 1812/4885ALOX15 2070/4885

“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.