SCHEMBL35504

SCHEMBL35504

C=CC(=O)OCCC[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.36
ATM Q13315 1/20 0.33
BBOX1 O75936 4/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Water SCHEMBL15390669 0.98 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799374 0.95 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL15390901 0.94 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16798997 0.94 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799251 0.94 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799088 0.94 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799363 0.94 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16798962 0.94 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16798843 0.94 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799000 0.94 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481897-B9 SILICONE HYDROGELS COMPRISING POLYAMIDES JOHNSON & JOHNSON VISION CARE (US) 2024-04-10 EP claimed
EP-3481897-B1 SILICONE HYDROGELS COMPRISING POLYAMIDES JOHNSON & JOHNSON VISION CARE (US) 2024-01-03 EP claimed
US-11828913-B2 Silicone hydrogels comprising polyamides JOHNSON & JOHNSON VISION CARE, INC. (US) 2023-11-28 US claimed
US-20210141122-A1 SILICONE HYDROGELS COMPRISING POLYAMIDES JOHNSON & JOHNSON VISION CARE (US) 2021-05-13 US claimed
US-10890689-B2 Silicone hydrogels comprising polyamides JOHNSON & JOHNSON VISION CARE, INC. (US) 2021-01-12 US claimed
US-20190317248-A1 SILICONE HYDROGELS COMPRISING POLYAMIDES JOHNSON & JOHNSON VISION CARE (US) 2019-10-17 US claimed
US-10371865-B2 Silicone hydrogels comprising polyamides JOHNSON & JOHNSON VISION CARE, INC. (US) 2019-08-06 US claimed
EP-3401342-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME Johnson & Johnson Vision Care, Inc. (US) 2018-11-14 EP claimed
US-10073192-B2 Polymers and nanogel materials and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2018-09-11 US claimed
US-20180011222-A1 SILICONE HYDROGELS COMPRISING POLYAMIDES JOHNSON & JOHNSON VISION CARE, INC. 2018-01-11 US claimed
US-9617423-B2 Macroinitiator containing hydrophobic segment JOHNSON & JOHNSON VISION CARE, INC. (US) 2017-04-11 US claimed
US-20160194497-A1 MACROINITIATOR CONTAINING HYDROPHOBIC SEGMENT JOHNSON & JOHNSON VISION CARE (US) 2016-07-07 US claimed
EP-2855544-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME Johnson & Johnson Vision Care Inc. (US) 2015-04-08 EP claimed
WO-2013176886-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 WO claimed
US-20130317131-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 US claimed
US-12638613-B2 Ophthalmic lenses and their manufacture by in-mold modification JOHNSON & JOHNSON VISION CARE, INC. (US) 2026-05-26 US disclosed
US-12624214-B2 Polymerizable absorbers of UV and high energy visible light JOHNSON & JOHNSON VISION CARE, INC. (US) 2026-05-12 US disclosed
WO-2011140318-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND USES OF THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-11-10 WO disclosed
US-7923428-B2 Composition for cleaning or rinsing hard surfaces RHODIA CHIMIE (FR) 2011-04-12 US disclosed
US-7923428-B2 Composition for cleaning or rinsing hard surfaces RHODIA CHIMIE (FR) 2011-04-12 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-12638613-B2 Ophthalmic lenses and their manufacture by in-mold modification UACA, AXL, CRYZ TSHR 2482/4885ALDH1A1 1768/4885CYP3A4 1323/4885
US-12624214-B2 Polymerizable absorbers of UV and high energy visible light CRY1, SCNN1G, MALT1 TSHR 832/4885ALDH1A1 1349/4885CYP3A4 679/4885

“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.