SCHEMBL22949459

SCHEMBL22949459

COc1ccc(C(C)(C)C)c(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
NNMT P40261 1/20 0.34
CYP1A2 P05177 1/20 0.34
PDE10A Q9Y233 8/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDE2A O00408 3/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL21859496 0.86 TSHR (0.38) CYP1A2PDE10APDE2ACYP11B2
SCHEMBL25144512 0.82 MEN1 (0.48) CA1CA2POLBKMT2ACYP1A2
SCHEMBL11955048 0.79 NNMT (0.46) CA1CA2POLBTDP1KMT2A
SCHEMBL9906400 0.79 POLB (0.47) CA1CA2POLBTDP1KMT2A
SCHEMBL21718908 0.78 HTT (0.35) CA1CA2POLBTDP1KMT2A
SCHEMBL19154828 0.78 ALOX5AP (0.36) CA1CA2POLBTDP1KMT2A
SCHEMBL21719172 0.78 POLB (0.34) POLBTDP1KMT2ASIRT2SIRT1
SCHEMBL22570331 0.78 POLB (0.34) POLBTDP1KMT2ASIRT2SIRT1
SCHEMBL21719170 0.78 HPGD (0.36) POLBTDP1KMT2ASIRT2SIRT1
SCHEMBL11955243 0.78 ALOX15 (0.39) CA1CA2POLBTDP1KMT2A

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-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-04-20 US disclosed
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-04 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 (5 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 CA1 4337/4885CA2 3011/4885POLB 2147/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 CA1 4337/4885CA2 3011/4885POLB 2147/4885
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF P2RX4, P2RX3, P2RX2 CA1 787/4885CA2 273/4885POLB 4416/4885
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, PRKCH CA1 4538/4885CA2 3417/4885POLB 2279/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH CA1 4538/4885CA2 3417/4885POLB 2279/4885

“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.