SCHEMBL23748867

SCHEMBL23748867

O=C(OCCl)c1ccc(Cc2ccc(C(=O)OCCl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 3/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ESR1 P03372 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
SLC6A2 P23975 2/20 0.42
ESR2 Q92731 2/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA7 P43166 1/20 0.42
SRD5A2 P31213 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1243626 0.89 ESR1 (0.50) KMT2AMEN1LMNACA1CA2
SCHEMBL28147949 0.86 ALDH1A1 (0.55) KMT2AMEN1LMNACA1CA2
SCHEMBL8679315 0.81 GAA (0.54) KMT2AMEN1LMNACA1CA2
SCHEMBL1268976 0.81 MAPT (0.53) KMT2AMEN1LMNACA1CA2
SCHEMBL7919566 0.79 LMNA (0.41) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL557321 0.79 MAPT (0.51) KMT2AMEN1LMNACA1CA2
SCHEMBL8477122 0.79 CA1 (0.57) KMT2AMEN1CA1CA2TDP1
SCHEMBL2332040 0.79 TDP1 (0.57) KMT2ALMNACA1CA2ESR1
SCHEMBL557186 0.78 TDP1 (0.63) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL10916834 0.77 KMT2A (0.76) KMT2AMEN1LMNAESR1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 EP 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB KMT2A 3669/4885MEN1 1015/4885LMNA 1061/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB KMT2A 3669/4885MEN1 1015/4885LMNA 1061/4885

“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.