SCHEMBL113556

SCHEMBL113556

CCOC(=O)C(CN)c1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
ROCK2 O75116 7/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK1 Q13464 4/20 0.34
MYLK4 Q86YV6 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
HTT P42858 1/20 0.33
IDO1 P14902 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
SCHEMBL23607847 0.88 ESR1 (0.50) PARP1ROCK2ESR1ESR2L3MBTL1
SCHEMBL11641330 0.78 ESR1 (0.49) ESR1ESR2LMNA
SCHEMBL175265 0.78 SYK (0.44) PARP1ESR1ESR2L3MBTL1LMNA
SCHEMBL112667 0.78 MEN1 (0.46) PARP1L3MBTL1LMNANPC1RAB9A
SCHEMBL9880876 0.78 AKR1C3 (0.43) PARP1ESR1ESR2L3MBTL1LMNA
SCHEMBL362371 0.74 MAPT (0.44) ROCK2LMNANPC1RAB9AROCK1
SCHEMBL8621869 0.74 MAPT (0.44) ROCK2LMNANPC1RAB9AROCK1
SCHEMBL27696295 0.74 MAOB (0.44) PARP1ESR1ESR2LMNA
SCHEMBL8912908 0.74 MMP8 (0.53) NPC1
SCHEMBL512129 0.74 MMP8 (0.53) NPC1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2020-05-19 US disclosed
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2020-04-30 US disclosed
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20180244666-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-30 US disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO 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 (10 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-20180244666-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 PARP1 2090/4885ROCK2 2/4885ESR1 2986/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 PARP1 3704/4885ROCK2 3/4885ESR1 4179/4885

“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.