SCHEMBL21017307

SCHEMBL21017307

CCOc1cc(C(C)=O)c(OCC)cc1C=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ LMNA P02545 2/20 0.51
▸ CA9 Q16790 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL10969853 0.84 LMNA (0.68) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL10498013 0.82 TSHR (1.00) TSHRCYP3A4LMNACA9KDM4E
SCHEMBL14641571 0.81 CYP3A4 (0.51) TSHRCYP3A4LMNACA9KDM4E
SCHEMBL3431542 0.80 LMNA (0.69) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL3913432 0.77 ALDH1A1 (0.57) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL18901650 0.77 ALDH1A1 (0.67) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL5883468 0.75 L3MBTL1 (0.56) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL16145545 0.75 LMNA (0.53) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL5881830 0.74 ALDH1A1 (0.65) TSHRCYP3A4LMNAKDM4EALDH1A1
SCHEMBL7802436 0.74 TSHR (0.76) TSHRCYP3A4LMNACA9KDM4E

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-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 — — US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 — — 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 TSHR 3601/4885CYP3A4 4709/4885LMNA 963/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 TSHR 3601/4885CYP3A4 4709/4885LMNA 963/4885

“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.

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