SCHEMBL25094643

SCHEMBL25094643

CCOc1ccccc1-c1ccc(C(C)(C)C)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
APP P05067 1/20 0.47
PTPRC P08575 1/20 0.40
ADRA1A P35348 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38
NCOA2 Q15596 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDK2 Q15119 1/20 0.38
PDE5A O76074 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL25094078 0.88 ALDH1A1 (0.46) ALDH1A1HPGDTDP1APPADRA1A
SCHEMBL147142 0.80 ALDH1A1 (0.61) ALDH1A1HPGDTDP1APPPTPRC
SCHEMBL25093294 0.77 APP (0.47) ALDH1A1HPGDTDP1APPHDAC6
SCHEMBL25094451 0.77 APP (0.47) ALDH1A1HPGDTDP1APPHDAC6
SCHEMBL25093340 0.77 CYP2D6 (0.60) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL25452101 0.75 DPP4 (0.42) ALDH1A1HPGDTDP1APPPTGER1
SCHEMBL198911 0.74 ALDH1A1 (0.60) ALDH1A1HPGDTDP1PTPRCKDM4E
SCHEMBL25450932 0.72 CYP1A2 (0.40) ALDH1A1HPGDTDP1APPPDK2
SCHEMBL25451101 0.72 LMNA (0.37) ALDH1A1HPGDTDP1APPTSHR
SCHEMBL13250782 0.72 ESRRG (0.41) ALDH1A1HPGDAPPKDM4ERXFP1

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
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 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 (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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF ALDH1A1 1973/4885HPGD 1493/4885TDP1 558/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 ALDH1A1 3709/4885HPGD 1142/4885TDP1 924/4885

“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.