SCHEMBL10308564

SCHEMBL10308564

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nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL10308674 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL10308376 0.91 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL20207372 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL5145947 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL13043706 0.83 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL11986244 0.78 ALDH1A1 (0.75) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL13043705 0.78 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL12477350 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL5665588 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHRTDP1HMGCR
SCHEMBL13113820 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTALOX15

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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 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 (3 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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ALDH1A1 327/4885KDM4E 2296/4885LMNA 4530/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA ALDH1A1 677/4885KDM4E 1653/4885LMNA 4311/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA ALDH1A1 677/4885KDM4E 1653/4885LMNA 4311/4885

“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.