SCHEMBL2214033

SCHEMBL2214033

C=C(OC(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
LMNA P02545 3/20 0.47
F2 P00734 1/20 0.47
SLC6A3 Q01959 1/20 0.45
MAPT P10636 6/20 0.43
RAB9A P51151 5/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL22880269 0.81 TSHR (0.52) TSHRLMNAF2SLC6A3MAPT
SCHEMBL1055708 0.81 ALDH1A1 (0.61) TSHRLMNAMAPTRAB9AALDH1A1
SCHEMBL27849099 0.80 LMNA (0.54) TSHRLMNAF2SLC6A3MAPT
SCHEMBL27891500 0.79 CES2 (0.52) TSHRLMNAF2SLC6A3MAPT
Methoxymethane SCHEMBL28409022 0.78 TSHR (0.70) TSHRLMNAF2SLC6A3MAPT
SCHEMBL17533546 0.77 TSHR (0.49) TSHRLMNAF2SLC6A3MAPT
SCHEMBL1742048 0.77 TSHR (0.57) TSHRLMNAF2SLC6A3MAPT
SCHEMBL777588 0.77 ELANE (0.54) TSHRLMNAF2SLC6A3MAPT
SCHEMBL28514832 0.77 ELANE (0.54) TSHRLMNAF2SLC6A3MAPT
Benzoyl Peroxide SCHEMBL9642802 0.76 LMNA (0.61) TSHRLMNAF2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790366-A The manufacturing method of (methyl) acrylic copolymer, resin combination, its formed body and formed body 三菱瓦斯化学株式会社 2019-05-21 CN disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
CN-101494283-B Positive electrode for nonaqueous electrolyte battery and nonaqueous electrolyte battery SANYO ELECTRIC CO 2012-08-22 CN disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
CN-101494283-A Positive electrode for nonaqueous electrolyte battery and nonaqueous electrolyte battery SANYO ELECTRIC CO (JP) 2009-07-29 CN disclosed
EP-2013214-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2009-01-14 EP disclosed
EP-2013213-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2009-01-14 EP disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007130927-A2 CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 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 (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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL TSHR 497/4885LMNA 1980/4885F2 516/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL TSHR 497/4885LMNA 1980/4885F2 516/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL TSHR 497/4885LMNA 1980/4885F2 516/4885

“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.