SCHEMBL23918657

SCHEMBL23918657

Oc1ccc2occc2c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NFKB1 P19838 1/20 0.36
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5497618 0.74 CYP3A4 (0.39) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL5501432 0.74 POLB (0.42) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL2269866 0.74 KDM4E (0.47) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL4429415 0.72 PAX8 (0.48) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL29951410 0.69 ERN1 (0.47) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL2265534 0.69 KCNA3 (0.34) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL3860557 0.69 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL19783244 0.69 KCNA3 (0.55) ALDH1A1CYP3A4HPGDKDM4EHSD17B10
SCHEMBL6194067 0.69 ERN1 (0.47) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL275378 0.68 MAOA (0.45) ALDH1A1CYP3A4HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2021-10-14 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-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND CRBN, CLNS1A, ADRM1 ALDH1A1 2347/4885CYP3A4 4280/4885HPGD 3751/4885

“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.