SCHEMBL20780709

SCHEMBL20780709

CC(C)(C)c1ccc(C#N)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.49
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHFR P00374 1/20 0.38

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
SCHEMBL11911379 0.86 AR (0.57) AR
SCHEMBL12056327 0.86 AR (0.67) AR
SCHEMBL13945796 0.83 KIF11 (0.44) ARKIF11ALDH1A1HPGDALOX15
SCHEMBL497451 0.83 KIF11 (0.47) ARKIF11ALDH1A1HPGDALOX15
SCHEMBL30566936 0.83 KIF11 (0.47) ARKIF11ALDH1A1HPGDALOX15
SCHEMBL12724889 0.81 TSHR (0.46) ARKIF11ALDH1A1HPGDALOX15
SCHEMBL29397303 0.79 KIF11 (0.44) ARKIF11ALDH1A1
SCHEMBL8852317 0.79 KIF11 (0.44) ARKIF11ALDH1A1
SCHEMBL1799157 0.79 ALDH1A1 (0.39) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL10256329 0.79 AR (0.51) ARALDH1A1

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-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
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 AR 14/4885KIF11 3176/4885ALDH1A1 1222/4885
US-20190233413-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 AR 623/4885KIF11 1807/4885ALDH1A1 50/4885
US-10221173-B2 Chemical compounds MKI67, CCNI, MCL1 AR 623/4885KIF11 1807/4885ALDH1A1 50/4885
US-11046689-B2 Selective estrogen receptor down-regulators ESR2, ESRRB, ESRRA AR 14/4885KIF11 3176/4885ALDH1A1 1222/4885
US-20200239468-A1 Selective Estrogen Receptor Down-Regulators ESR2, ESRRB, ESRRA AR 14/4885KIF11 3176/4885ALDH1A1 1222/4885

“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.