SCHEMBL6489381

SCHEMBL6489381

COc1ccc(COc2cc(CO)ccc2OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CSF1R P07333 2/20 0.48
NTRK1 P04629 1/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48

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
SCHEMBL13413505 0.95 NPC1 (0.57) NPC1RAB9APOLBCSF1RNTRK1
SCHEMBL21377514 0.94 NPC1 (0.63) NPC1RAB9APOLBLMNAHTT
1,4-Dimethoxybenzene SCHEMBL28240783 0.88 LMNA (0.61) NPC1RAB9APOLBLMNAHTT
SCHEMBL31361425 0.87 BCHE (0.60) NPC1RAB9APOLBLMNAHTT
SCHEMBL3239903 0.87 BCHE (0.60) NPC1RAB9APOLBLMNAHTT
SCHEMBL22160236 0.86 NPC1 (0.48) NPC1RAB9APOLBCSF1RNTRK1
SCHEMBL13413541 0.85 NPC1 (0.48) NPC1RAB9APOLBCSF1RNTRK1
SCHEMBL20201940 0.84 CYP4F2 (0.51) NPC1RAB9APOLBAPPFFAR1
SCHEMBL6480145 0.84 MAOB (0.63) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL5511230 0.82 NPC1 (0.51) NPC1RAB9APOLBBCHESMPD1

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-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 US disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 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-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 NPC1 2328/4885RAB9A 1434/4885POLB 2677/4885

“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.