SCHEMBL9433997

SCHEMBL9433997

CCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
HSD17B2 P37059 1/20 0.58
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 6/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL1525956 0.86 MAPT (0.59) DRD2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1829157 0.86 HDAC6 (0.55) DRD2NPC1RAB9AMAPTMEN1
SCHEMBL20105088 0.85 DRD2 (0.47) DRD2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20897513 0.84 HSD17B2 (0.48) DRD2HSD17B2TSHRLMNAGAA
SCHEMBL2848013 0.84 MEN1 (0.57) DRD2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30506315 0.83 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1660365 0.83 HSD17B2 (0.76) HSD17B2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15214885 0.82 DRD2 (0.44) DRD2HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL336061 0.82 DRD2 (0.49) DRD2SMN1; SMN2MAPTTSHRLMNA
SCHEMBL1975152 0.82 CA12 (0.65) DRD2RAB9ATSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-10 US disclosed
US-20090137609-A1 VITAMIN D-LIKE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP 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 (2 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-20090137609-A1 VITAMIN D-LIKE COMPOUND VDR, CYP24A1, CYP2R1 DRD2 287/4885HSD17B2 93/4885NPC1 1774/4885
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS VDR, CYP24A1, CYP2R1 DRD2 399/4885HSD17B2 113/4885NPC1 1657/4885

“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.