SCHEMBL24579552

SCHEMBL24579552

O/C(=C(/O)c1cccnn1)c1cccnn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
CES1 P23141 2/20 0.43
AHR P35869 1/20 0.41
GOT1 P17174 1/20 0.39
TBXA2R P21731 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 3/20 0.37
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.37
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
NAPRT Q6XQN6 2/20 0.34
LMNA P02545 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL31605465 0.80
SCHEMBL30075114 0.80
SCHEMBL1479726 0.80
SCHEMBL28293 0.80
SCHEMBL28279241 0.78 P2RX7 (0.57) P2RX7CES1AHRTBXA2RCYP1A2
SCHEMBL22288333 0.78 P2RX7 (0.57) P2RX7CES1AHRTBXA2RCYP1A2
SCHEMBL15956532 0.78 P2RX7 (0.57) P2RX7CES1AHRTBXA2RCYP1A2
Hydrochloric Acid SCHEMBL11797023 0.78 P2RX7 (0.57) P2RX7CES1AHRTBXA2RCYP1A2
SCHEMBL8977638 0.77 P2RX7 (0.61) P2RX7CES1AHRGOT1TBXA2R
SCHEMBL6600285 0.77 P2RX7 (0.46) P2RX7CES1AHRGOT1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst QATAR UNIVERSITY (QA) 2023-08-08 US disclosed
US-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst QATAR UNIVERSITY (QA) 2023-08-08 US disclosed
US-20220204487-A1 ATYPICAL COUPLING METHOD FOR THE PREPARATION OF 1,2-DI(THIOPHEN-2-YL)ETHENE-1,2-DIOL COMPOUNDS VIA A CU(II) CATALYST QATAR UNIVERSITY (QA) 2022-06-30 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 (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-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst AP2A2, AP2A1, DNM2 P2RX7 4258/4885CES1 2704/4885AHR 1452/4885
US-20220204487-A1 ATYPICAL COUPLING METHOD FOR THE PREPARATION OF 1,2-DI(THIOPHEN-2-YL)ETHENE-1,2-DIOL COMPOUNDS VIA A CU(II) CATALYST AP2A2, AP2A1, DNM2 P2RX7 4258/4885CES1 2704/4885AHR 1452/4885

“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.