SCHEMBL6737359

SCHEMBL6737359

COc1c(C2OCCO2)cc(C)cc1C1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 1/20 0.33
PTAFR P25105 2/20 0.32
SYK P43405 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL18085975 0.78 NPC1 (0.42) NPC1RAB9APTPN1CYP3A4MAPT
SCHEMBL6737165 0.77 ALDH1A1 (0.36) NPC1RAB9ASYKCYP3A4MAPT
SCHEMBL7093467 0.76 ACHE (0.48) ACHENPC1RAB9ACYP3A4MAPT
SCHEMBL15313667 0.76 CA2 (0.42) ACHENPC1RAB9APTPN1MAPT
SCHEMBL6736093 0.75 SELL (0.37) ACHENPC1RAB9AMAPT
SCHEMBL15313665 0.73 LMNA (0.36) NPC1RAB9AMAPT
SCHEMBL27438368 0.72 ACHE (0.48) ACHENPC1RAB9ASYKCYP3A4
SCHEMBL18085976 0.72 NPC1 (0.37) NPC1RAB9AMAPT
SCHEMBL14190201 0.71 CYP3A4 (0.32) SYKCYP3A4
SCHEMBL3076329 0.70 ALDH1A1 (0.38) NPC1RAB9AMAPT

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
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 ACHE 887/4885NPC1 1887/4885RAB9A 3911/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 ACHE 837/4885NPC1 1824/4885RAB9A 3759/4885

“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.