SCHEMBL22965337

SCHEMBL22965337

COc1cc(Cc2ccccc2O)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
HSPA5 P11021 1/20 0.46
CALM1 P0DP23 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
CNR2 P34972 1/20 0.45
CA2 P00918 2/20 0.44

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
SCHEMBL28413300 0.87 CALM1 (0.59) KEAP1CALM1CA2TSHRCA1
SCHEMBL2578577 0.87 CA2 (0.61) KEAP1HSPA5CALM1TUBB4ATUBB
SCHEMBL3260850 0.82 CALM1 (0.54) KEAP1HSPA5CALM1TUBB4ATUBB
SCHEMBL2575232 0.80 KEAP1 (0.49) KEAP1HSPA5TUBB4ATUBBTUBA3C
SCHEMBL12389920 0.79 CA2 (0.68) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15929642 0.79 ESR1 (0.69) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18466197 0.79 KEAP1 (0.59) KEAP1HSPA5CA2TSHRCA1
SCHEMBL14769223 0.78 CA2 (0.57) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3025005 0.78 ESR1 (0.68) KEAP1HSPA5CA2CA1TP53
SCHEMBL22630509 0.78 AR (0.48) CA2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 US disclosed
US-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES Institut National de la Santé et de la Recherche Médicale (FR) 2021-02-11 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-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH KEAP1 394/4885HSPA5 924/4885CALM1 3060/4885
US-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH KEAP1 394/4885HSPA5 924/4885CALM1 3060/4885

“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.