SCHEMBL29640438

SCHEMBL29640438

COc1ccc(C#Cc2cccc(O)c2O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TUBB1 Q9H4B7 2/20 0.40
AOX1 Q06278 1/20 0.39
PTGS1 P23219 1/20 0.38
BCHE P06276 1/20 0.38
TYR P14679 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL29640432 0.81 APP (0.58) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL29640493 0.79 CA1 (0.51) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL4277648 0.75 CA2 (0.50) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL4279369 0.75 APP (0.50) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL951002 0.72 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL18130115 0.71 FFAR1 (0.40) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL18130071 0.71 KCNH2 (0.44) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL4148206 0.71 ALDH1A1 (0.41) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL388024 0.71 AR (0.51) TP53ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL7516469 0.71 ALDH1A1 (0.47) TP53ALDH1A1MAPTCYP3A4ALOX15

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
EP-3280402-B1 TOLAN COMPOUNDS FOR PROMOTING WOUND HEALING BIOMENDICS LLC (US) 2024-06-05 EP disclosed
US-20220296538-A1 Substituted Tolans for the Modulation of Microbial Colonization BioMendics, LLC (US) 2022-09-22 US disclosed
US-11351126-B2 Substituted tolans for the modulation of microbial colonization BioMendics, LLC (US) 2022-06-07 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-11351126-B2 Substituted tolans for the modulation of microbial colonization LMAN1, DPM1, DSTN TP53 2831/4885ALDH1A1 1348/4885MAPT 1894/4885
US-20220296538-A1 Substituted Tolans for the Modulation of Microbial Colonization LMAN1, DPM1, DSTN TP53 2831/4885ALDH1A1 1348/4885MAPT 1894/4885

“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.