SCHEMBL2856571

SCHEMBL2856571

Cc1ccc(C2OCCO2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.37
ABCC9 O60706 3/20 0.36
KCNJ11 Q14654 3/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ8 Q15842 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL6218681 0.93 TP53 (0.39) TP53RAB9AHPGDABCC9KCNJ11
SCHEMBL29520509 0.85 RAB9A (0.40) RAB9ATSHRMEN1KMT2AALDH1A1
SCHEMBL21224168 0.85 RAB9A (0.40) RAB9ATSHRMEN1KMT2AALDH1A1
SCHEMBL4858133 0.82 RAB9A (0.36) RAB9AABCC9KCNJ11MEN1KMT2A
SCHEMBL10018131 0.82 RAB9A (0.43) TP53RAB9AHPGDMEN1KMT2A
SCHEMBL3711765 0.77 ABCC9 (0.44) ABCC9KCNJ11MEN1KMT2AABCC8
SCHEMBL5791363 0.77 ABCC9 (0.35) RAB9AABCC9KCNJ11MEN1KMT2A
SCHEMBL1587499 0.77 ALOX15 (0.43) RAB9ATSHRMEN1KMT2AALDH1A1
SCHEMBL1121729 0.77 KMT2A (0.44) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL5756254 0.77 ALDH1A1 (0.43) RAB9ATSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR TP53 657/4885RAB9A 3535/4885HPGD 85/4885

“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.