SCHEMBL6500535

SCHEMBL6500535

C[C](CCN1CCOCC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 2/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47

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
SCHEMBL417375 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL9779465 0.80 ALDH1A1 (0.67) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL8917488 0.80 KMT2A (0.67) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL321369 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL7385779 0.75 ALDH1A1 (0.68) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL501352 0.74 ALDH1A1 (0.82) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL13118343 0.73 LMNA (1.00) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL6979432 0.73 L3MBTL1 (0.51) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL6100704 0.73 L3MBTL1 (0.51) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL21077881 0.72 TSHR (0.71) ALDH1A1MAPTKMT2ALMNAKDM4E

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-20050159470-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-07-21 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-20050159470-A1 Histone deacetylase inhibitors HDAC5, HDAC1, HDAC10 ALDH1A1 4032/4885MAPT 4248/4885KMT2A 63/4885

“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.