SCHEMBL19985860

SCHEMBL19985860

CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)CC1c1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19985859 0.86 HPGD (0.51) ALDH1A1TSHRHPGDTDP1LMNA
SCHEMBL19985847 0.84 DPP4 (0.45) ALDH1A1TSHRHPGDMAPK1TDP1
SCHEMBL19972419 0.76 PDE4A (0.52) ALDH1A1TSHRHPGDSMN1; SMN2PDE4A
SCHEMBL19972374 0.76 PDE4A (0.52) ALDH1A1TSHRHPGDSMN1; SMN2PDE4A
SCHEMBL19972421 0.76 PDE4A (0.52) ALDH1A1TSHRHPGDSMN1; SMN2PDE4A
SCHEMBL19985852 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL19985866 0.75 KMT2A (0.46) ALDH1A1TSHRHPGDMAPK1TDP1
SCHEMBL19985863 0.75 KMT2A (0.46) ALDH1A1TSHRHPGDMAPK1TDP1
SCHEMBL7247095 0.74 HTT (0.60) ALDH1A1TSHRHPGDLMNASMN1; SMN2
SCHEMBL7247085 0.74 HTT (0.60) ALDH1A1TSHRHPGDLMNASMN1; SMN2

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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 ALDH1A1 3156/4885TSHR 1909/4885HPGD 104/4885

“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.