SCHEMBL11377807

SCHEMBL11377807

COc1ccc(Cc2ccc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.55
▸ IDO1 P14902 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AGXT P21549 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MPI P34949 1/20 0.41

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
SCHEMBL23528205 0.81 CHRM2 (0.50) IDO1AGXTTAAR1
SCHEMBL23528212 0.79 DAO (0.44) IDO1ALDH1A1TAAR1SMN1; SMN2KDM4E
SCHEMBL7378242 0.77 CA2 (0.61) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL5377917 0.76 L3MBTL1 (0.51) LTA4HALDH1A1L3MBTL1SAE1UBA2
SCHEMBL1859087 0.76 ALDH1A1 (0.47) LTA4HALDH1A1L3MBTL1CYP2D6LMNA
SCHEMBL1108477 0.76 TAAR1 (0.50) TAAR1SMN1; SMN2
SCHEMBL27884 0.75 LTA4H (0.81) LTA4HIDO1ALDH1A1AGXTTAAR1
SCHEMBL1425001 0.75 LTA4H (0.81) LTA4HIDO1ALDH1A1AGXTTAAR1
SCHEMBL25986524 0.75 LTA4H (0.81) LTA4HIDO1ALDH1A1AGXTTAAR1
SCHEMBL28399049 0.75 HRH3 (0.52) IDO1ALDH1A1TAAR1CYP2D6APOBEC3G

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-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 — — US disclosed
CN-109516978-A Giantreed alkali derivant and its preparation method and application 河北工业大学 2019-03-26 — — CN disclosed
US-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 — — 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-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 LTA4H 4678/4885IDO1 3764/4885ALDH1A1 4039/4885

“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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