SCHEMBL805250

SCHEMBL805250

CN[C@@H]1CCCC[C@@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38

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
SCHEMBL17481683 1.00 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL16056705 1.00 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL17476069 1.00 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL16056704 1.00 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
Bromide SCHEMBL17476062 0.98 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
Bromide SCHEMBL17476064 0.98 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL25798285 0.98 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
Bromide SCHEMBL17476061 0.98 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL12598284 0.95 PSEN1 (0.42) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL8199946 0.95 PSEN1 (0.42) ALDH1A1LMNAKDM4EHTTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2682409-B1 DERIVATIVE OF HYALURONIC ACID MODIFIED WITH AMINO-CARBOXYLIC ACID CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-07-05 EP disclosed
EP-3184553-A1 DERIVATIVE OF HYALURONIC ACID MODIFIED WITH AMINO-CARBOXYLIC ACID Chugai Seiyaku Kabushiki Kaisha (JP) 2017-06-28 EP disclosed
US-9243077-B2 Derivative of hyaluronic acid modified with amino-carboxylic acid CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-26 US disclosed
US-9243077-B2 Derivative of hyaluronic acid modified with amino-carboxylic acid CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-26 US disclosed
WO-2012118189-A1 HYALURONIC ACID DERIVATIVE MODIFIED BY AMINO-CARBONIC ACID 中外製薬株式会社 (JP) 2012-09-07 WO disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT ALDH1A1 2470/4885LMNA 3319/4885KDM4E 4000/4885

“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.