SCHEMBL758620

SCHEMBL758620

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SLC22A16 Q86VW1 1/20 0.39
TSHR P16473 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
GSTP1 P09211 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL270107 0.98 MAPT (0.42) MAPTSLC22A16TSHRCHRM2CHRM4
Bromide SCHEMBL11520163 0.98 MAPT (0.38) MAPTSLC22A16TSHRCHRM2CHRM4
Phosphoric Acid SCHEMBL8763242 0.93 MAPT (0.35) MAPTSLC22A16TSHRCHRM2CHRM4
Sulfuric Acid SCHEMBL11519852 0.93 MAPT (0.35) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL20335453 0.88 TSHR (0.39) MAPTTSHRGSTP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10839320 0.86 MAPT (0.34) MAPTSLC22A16TSHRSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL8777402 0.84 HCAR2 (0.34) MAPTTSHRGSTP1HCAR2ATM
SCHEMBL23581952 0.82 TSHR (0.35) MAPTTSHRGSTP1SMN1; SMN2HCAR2
SCHEMBL2868662 0.82 KDM4E (0.43) TSHRGSTP1LMNAHCAR2ATM
SCHEMBL650096 0.82 HCAR2 (0.36) MAPTTSHRGSTP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173878-B1 PROBES FOR A GAS PHASE ION SPECTROMETER BIO RAD LABORATORIES (US) 2011-04-06 EP claimed
US-20080031846-A1 Compositions with enhanced antimicrobial efficacy against acanthamoebae BORAZJANI ROYA 2008-02-07 US claimed
EP-1852133-A2 Compositions with enhanced antimicrobial efficacy against acanthamoebae BAUSCH & LOMB INCORPORATED (US) 2007-11-07 EP claimed
EP-0920487-B1 COMPOSITION AND METHOD FOR INHIBITING THE DEPOSITION OF PROTEIN ON CONTACT LENS BAUSCH & LOMB (US) 2003-04-09 EP claimed
EP-0834777-B1 Cationic toner processes XEROX CORP (US) 2001-01-03 EP claimed
US-6096138-A IMMERSION IN AQUEOUS SOLUTION OF POLYQUATERNARY AMMONIUM SALT CATIONIC POLYMER BAUSCH & LOMB INCORPORATED (US) 2000-08-01 US claimed
EP-0371821-B1 A process for the production of substituted acryloyloxyhydroxypropyltrialkylammonium chloride RHONE POULENC SPEC CHIM (US) 1994-05-25 EP claimed
US-4393939-A Clay stabilization during oil and gas well cementing operations HALLIBURTON SERVICES (US) 1983-07-19 US claimed
US-20240218291-A1 CONTACT LENS TREATING SOLUTION JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-07-04 US disclosed
WO-2024132271-A1 CONTACT LENS TREATING SOLUTION BAUSCH + LOMB IRELAND LIMITED (IE) 2024-06-27 WO disclosed
US-20240166971-A1 CONTACT LENS TREATING SOLUTION JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-05-23 US disclosed
WO-2024089166-A1 CONTACT LENS TREATING SOLUTION BAUSCH + LOMB IRELAND LIMITED (IE) 2024-05-02 WO disclosed
WO-2023094265-A1 METHOD FOR MAKING A PRESERVATIVE-FREE PACKAGED OPHTHALMIC DEVICE PRODUCT BAUSCH + LOMB IRELAND LIMITED (IE) 2023-06-01 WO disclosed
US-20230159202-A1 METHOD FOR MAKING A PRESERVATIVE-FREE PACKAGED OPHTHALMIC DEVICE PRODUCT JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2023-05-25 US disclosed
EP-0371823-A1 Crystalline 3-methacryloyloxy-2-hydroxypropyl-trimethylammonium chloride monomer POLYPURE INC. (US) 1990-06-06 EP disclosed
EP-0371823-A1 Crystalline 3-methacryloyloxy-2-hydroxypropyl-trimethylammonium chloride monomer POLYPURE INC. (US) 1990-06-06 EP disclosed
EP-0371821-A1 A process for the production of substituted acryloyloxyhydroxypropyltrialkylammonium chloride RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1990-06-06 EP disclosed
EP-0371822-A1 Copolymers of 3-methacryloyloxy-2-hydroxypropyl trimethylammonium chloride monomer and vinyl monomer S. N. F. (FR) 1990-06-06 EP disclosed
EP-0253515-A2 Fluorine containing soft contact lens hydrogels OPTIMERS INC. (US) 1988-01-20 EP disclosed
US-4663061-A Metal-working oil composition KAO CORPORATION (JP) 1987-05-05 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 (1 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-20080031846-A1 Compositions with enhanced antimicrobial efficacy against acanthamoebae LAGE3, PKD2, CUTA MAPT 4211/4885SLC22A16 4514/4885TSHR 4655/4885

“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.