SCHEMBL30451957

SCHEMBL30451957

Cc1cccc(-[n+]2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ TSHR P16473 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CA7 P43166 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ AKR1B10 O60218 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MPO P05164 1/20 0.31

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
SCHEMBL29178262 0.92 TRPA1 (0.34) TRPA1ATMCYP1A2CYP2A6
SCHEMBL971422 0.81 ACHE (0.43) CYP1A2CYP2A6TSHRACHECA1
SCHEMBL29725175 0.81 ACHE (0.43) CYP1A2CYP2A6TSHRACHECA1
Hydrochloric Acid SCHEMBL29103124 0.75 ACHE (0.36) CYP1A2CYP2A6TSHRACHECA1
SCHEMBL31212632 0.74 ACHE (0.37) TSHRACHECA1CA2CA9
Benzene SCHEMBL22829865 0.71 TRPA1 (0.58) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL18925756 0.70 DRD4 (0.36) CA1CA2CA9ALDH1A1CA12
Acetic Acid SCHEMBL29025325 0.70 HPGD (0.36) ACHECA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL40704 0.68 — —
SCHEMBL5494561 0.68 TRPA1 (0.61) TRPA1ATMCYP1A2CYP2A6TSHR

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-12571798-B2 Cancer biomarkers and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-10 — — US disclosed
US-12332245-B2 Cancer biomarkers and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-06-17 — — US disclosed
EP-3796002-B1 CANCER BIOMARKERS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2023-11-22 — — EP disclosed
US-20230204591-A1 CANCER BIOMARKERS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-29 — — 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 (1 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-12571798-B2 Cancer biomarkers and methods of use thereof MKI67, BRCA1, CD68 TRPA1 3966/4885ATM 2941/4885CYP1A2 4742/4885

“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.

Send feedback