SCHEMBL18573305

SCHEMBL18573305

CCC(=O)ON1C(=O)CCC1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL18025372 0.90 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL26049973 0.87 ALDH1A1 (0.35) KMT2AALDH1A1
SCHEMBL23743608 0.83
SCHEMBL24493563 0.83
SCHEMBL23469904 0.83 KMT2A (0.30) KMT2A
SCHEMBL15691984 0.83
SCHEMBL19369854 0.82 ACE (0.35) TSHR
SCHEMBL21116928 0.82 TSHR (0.41) KMT2AALDH1A1TSHR
SCHEMBL24770415 0.82 NAAA (0.44) KMT2A
SCHEMBL19901104 0.82 ACE (0.33) CHRM2CHRM4CHRM1CHRM3

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-4019049-A1 METHODS FOR PREPARING THERAPEUTIC PROTEIN-POLYMER CONJUGATES Takeda Pharmaceutical Company Limited (JP) 2022-06-29 EP disclosed
US-11186719-B2 Hemicyanine dyes LI-COR, INC. (US) 2021-11-30 US disclosed
EP-2320954-B1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2019-09-04 EP disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO disclosed
EP-2947111-B1 MONOFUNCTIONAL BRANCHED POLYETHYLENEGLYCOL AND BIO-RELATED SUBSTANCE MODIFIED BY SAME XIAMEN SINOPEG BIOTECH CO LTD (CN) 2018-03-07 EP disclosed
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-20 US disclosed
WO-2016196994-A9 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-02 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 (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-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM CHRM2 4675/4885CHRM4 4502/4885CHRM1 4548/4885

“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.