SCHEMBL4071677

SCHEMBL4071677

CCOc1ccc2c(=O)c3cc(OCCCCCC(=O)Cl)c(OCC)cc3sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH2 P05091 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACSL1 P33121 1/20 0.35
ACSL6 Q9UKU0 1/20 0.35
XDH P47989 1/20 0.34
CSF1R P07333 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13939956 0.88 ALDH1A1 (0.42) HDAC1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3959212 0.79 TNF (0.44) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3962337 0.78 SERPINE1 (0.46) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3962343 0.74 STING1 (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3967317 0.73 MAPT (0.38) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL3967322 0.73 RAB9A (0.38) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL4484085 0.70 MAPT (0.57) HSD17B10NPC1RAB9AMAPTALDH1A1
SCHEMBL6875166 0.68 TDP1 (0.47) HSD17B10NPC1RAB9AMAPTALDH1A1
SCHEMBL13338859 0.68 KDM4E (0.51) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL1794150 0.67 ESR1 (0.41) NPC1RAB9AMAPTALDH1A1KDM4E

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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1802630-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006032893-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2006-03-30 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA HDAC1 2293/4885HSD17B10 3445/4885SMN1; SMN2 3556/4885

“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.