SCHEMBL19971710

SCHEMBL19971710

CC=CC(=O)NCCCPCC[N+](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
LMNA P02545 1/20 0.30
CBLB Q13191 1/20 0.30
MAPT P10636 1/20 0.30
EGFR P00533 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
SCHEMBL19971715 0.95 APEX1 (0.39) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
SCHEMBL19971707 0.90 ACHE (0.38) APEX1ACHESMN1; SMN2KMT2AATM
SCHEMBL25544701 0.83 APEX1 (0.42) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1628096 0.83 APEX1 (0.42) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL233973 0.82 APEX1 (0.41) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
SCHEMBL20530938 0.79 ACHE (0.50) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8777430 0.78 ACHE (0.49) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
Sulfuric Acid SCHEMBL25230184 0.78 APEX1 (0.42) APEX1ACHESMN1; SMN2ALDH1A1KMT2A
SCHEMBL21610956 0.75 APEX1 (0.49) APEX1SMN1; SMN2ALDH1A1KMT2ATAAR1
SCHEMBL22187118 0.73 APEX1 (0.51) APEX1SMN1; SMN2ALDH1A1TAAR1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121802-B1 HIGH REFRACTIVE INDEX SILOXANE INSERT MATERIALS FOR EMBEDDED CONTACT LENSES ALCON INC (CH) 2024-07-17 EP claimed
EP-4076916-B1 WETTABLE SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2024-06-12 EP claimed
EP-4369081-A2 METHOD FOR PRODUCING AN OPHTHALMIC PRODUCT Alcon Inc. (CH) 2024-05-15 EP claimed
EP-4121801-B1 INSERT MATERIALS WITH HIGH OXYGEN PERMEABILITY AND HIGH REFRACTIVE INDEX ALCON INC (CH) 2024-04-17 EP claimed
US-11931454-B2 Wet-packed soft hydrogel ocular inserts ALCON INC. (CH) 2024-03-19 US claimed
EP-4146461-B1 METHOD FOR PRODUCING SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2024-03-13 EP claimed
EP-4118134-B1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2024-02-28 EP claimed
US-11867874-B2 Insert materials with high oxygen permeability and high refractive index ALCON INC. (CH) 2024-01-09 US claimed
WO-2023228055-A1 UV/HEVL-FILTERING CONTACT LENSES ALCON INC. (CH) 2023-11-30 WO claimed
US-20230374306-A1 UV/HEVL-FILTERING CONTACT LENSES ALCON INC. (CH) 2023-11-23 US claimed
US-20210132411-A1 CONTACT LENSES WITH SURFACES HAVING DIFFERENT SOFTNESS ALCON INC. (CH) 2021-05-06 US claimed
US-10968319-B2 Silicone hydrogel contact lenses ALCON INC. (CH) 2021-04-06 US claimed
US-10962803-B2 Contact lenses with a lubricious coating thereon ALCON INC. (CH) 2021-03-30 US claimed
WO-2021053586-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS ALCON INC. (CH) 2021-03-25 WO claimed
US-20210077385-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS ALCON INC. (CH) 2021-03-18 US claimed
US-20200405747-A1 OPHTHALMIC COMPOSITIONS ALCON RESEARCH, LLC 2020-12-31 US claimed
WO-2020261185-A1 OPHTHALMIC COMPOSITIONS ALCON INC. (CH) 2020-12-30 WO claimed
US-20190300654-A1 METHOD FOR MAKING SILICONE HYDROGEL CONTACT LENSES ALCON RESEARCH, LTD. 2019-10-03 US claimed
US-20190263971-A1 SILICONE HYDROGEL CONTACT LENSES ALCON INC. (CH) 2019-08-29 US claimed
US-20190235277-A1 CONTACT LENSES WITH A LUBRICIOUS COATING THEREON ALCON INC. (CH) 2019-08-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20210077385-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS BRI3BP, BRWD1, HRH2 APEX1 2582/4885ACHE 2021/4885SMN1; SMN2 4666/4885
US-11931454-B2 Wet-packed soft hydrogel ocular inserts BRI3BP, BRWD1, HRH2 APEX1 2582/4885ACHE 2021/4885SMN1; SMN2 4666/4885
US-20200405747-A1 OPHTHALMIC COMPOSITIONS B4GALT1, B3GAT3, ALG1 APEX1 1764/4885ACHE 2065/4885SMN1; SMN2 4174/4885

“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.