SCHEMBL23720117

SCHEMBL23720117

O=S(=O)(c1ccccc1)C1(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.44
MAOA P21397 13/20 0.44
MAOB P27338 13/20 0.44
GAA P10253 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CHRM1 P11229 1/20 0.35
RORC P51449 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL23720200 1.00 KDM1A (0.44) KDM1AMAOAMAOBGAAMCOLN3
SCHEMBL23720118 1.00 KDM1A (0.44) KDM1AMAOAMAOBGAAMCOLN3
SCHEMBL22026800 0.67 GAA (0.52) GAAMCOLN3ALDH1A1RAB9AKMT2A
SCHEMBL11054309 0.66 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573931 0.66 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573928 0.66 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL22623894 0.65 GAA (0.38) GAAMCOLN3ALDH1A1KMT2APSEN1
SCHEMBL5998298 0.65 KDM1A (0.57) KDM1AMAOAMAOBRCOR1
SCHEMBL16865181 0.64 GAA (0.48) GAAMCOLN3ALDH1A1KMT2A
SCHEMBL27539024 0.64 KDM1A (0.45) KDM1AMAOAMAOBKMT2A

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-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 KDM1A 3468/4885MAOA 708/4885MAOB 457/4885

“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.