SCHEMBL20780640

SCHEMBL20780640

CC(C)(C)c1cccc(C(C)(C)C)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KIF11 P52732 2/20 0.39
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
ALOX5 P09917 1/20 0.34
HSD11B1 P28845 1/20 0.34
PTPN5 P54829 1/20 0.34
ACHE P22303 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL22900082 0.90 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL19533102 0.90 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12251347 0.90 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL20048987 0.88 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6763814 0.87 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25449841 0.86 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL21240104 0.86 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9626868 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3106199 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12024755 0.83 ALDH1A1 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046689-B2 Selective estrogen receptor down-regulators ASTRAZENECA AB (SE) 2021-06-29 US disclosed
US-20200239468-A1 Selective Estrogen Receptor Down-Regulators ASTRAZENECA PHARMACEUTICALS LP 2020-07-30 US disclosed
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
US-10590132-B2 Selective estrogen receptor down-regulators ASTRAZENECA AB (SE) 2020-03-17 US disclosed
US-20190233413-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2019-08-01 US disclosed
US-10221173-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-03-05 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-10590132-B2 Selective estrogen receptor down-regulators ESR2, ESRRB, ESRRA CA2 4517/4885GABRA1 1214/4885GABRB2 629/4885
US-20190233413-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 CA2 2040/4885GABRA1 3149/4885GABRB2 2791/4885
US-10221173-B2 Chemical compounds MKI67, CCNI, MCL1 CA2 2040/4885GABRA1 3149/4885GABRB2 2791/4885
US-11046689-B2 Selective estrogen receptor down-regulators ESR2, ESRRB, ESRRA CA2 4517/4885GABRA1 1214/4885GABRB2 629/4885
US-20200239468-A1 Selective Estrogen Receptor Down-Regulators ESR2, ESRRB, ESRRA CA2 4517/4885GABRA1 1214/4885GABRB2 629/4885

“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.