SCHEMBL5564797

SCHEMBL5564797

CCOCOc1ccc(Br)cc1CC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CCR5 P51681 4/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3988013 0.85 LMNA (0.56) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL5569933 0.84 PTGDR2 (0.45) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL5568957 0.81 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL1849118 0.77 MAPK1 (0.52) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL17847407 0.77 PTGDR2 (0.57) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL3993690 0.76 PTGDR2 (0.51) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL27565594 0.76 HTT (0.38) ALDH1A1LMNARAB9AHPGDTSHR
SCHEMBL31288205 0.76 KDM4E (0.56) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3991296 0.76 KDM4E (0.56) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL9336779 0.76 KMT2A (0.42) ALDH1A1LMNASMN1; SMN2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
EP-1537065-B1 ANALOGUES OF VITAMIN D GALDERMA RES & DEV (FR) 2006-11-02 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US disclosed
EP-1537065-A1 ANALOGUES OF VITAMIN D Galderma Research & Development, S.N.C. (FR) 2005-06-08 EP disclosed
WO-2004020379-A1 ANALOGUES OF VITAMIN D GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-03-11 WO 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR ALDH1A1 121/4885LMNA 3140/4885SMN1; SMN2 4799/4885

“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.