SCHEMBL18150128

SCHEMBL18150128

CC(C)c1cc(C(C)C)c(-c2cccc(P(C(C)(C)C)C(C)(C)C)c2)c(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.58
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ FABP3 P05413 2/20 0.31
▸ FABP4 P15090 2/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ FABP5 Q01469 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
SCHEMBL16694196 0.77 HDAC4 (0.40) ROCK2PTPN5
SCHEMBL29590068 0.77 HDAC4 (0.40) ROCK2PTPN5
SCHEMBL29670251 0.75 HDAC4 (0.39) ROCK2PTPN5
SCHEMBL16947505 0.73 ROCK2 (1.00) ROCK2
SCHEMBL31547997 0.73 ROCK2 (0.45) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL2727228 0.73 ROCK2 (0.49) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL30869371 0.72 ROCK2 (0.50) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL4003562 0.72 ROCK2 (0.37) ROCK2PTPN5
SCHEMBL29424818 0.71 ROCK2 (0.48) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL29527590 0.71 MAOA (0.40) PTPN5

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
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 — — CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 — — EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 — — US disclosed
CN-107406424-A Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2017-11-28 — — CN disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 — — US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 — — 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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ROCK2 3696/4885GABRA1 237/4885GABRB2 321/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ROCK2 3696/4885GABRA1 237/4885GABRB2 321/4885

“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.

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