SCHEMBL6736093

SCHEMBL6736093

Cc1cc(C2OCCO2)c(O)c(C2OCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
ALDH1A1 P00352 3/20 0.33
UGT2B17 O75795 2/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL11772132 0.84 SMN1; SMN2 (0.55) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6737359 0.75 ACHE (0.40) ACHERAB9ANPC1MAPT
SCHEMBL31056424 0.75 HPGD (0.32) CA2KDM4EMAPTERN1
SCHEMBL17149251 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL24121898 0.71 KDM1A (0.31)
SCHEMBL15127676 0.71 CA1 (0.33) ALDH1A1CA2
SCHEMBL20328775 0.69 TDP1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL25591834 0.69 HTR2C (0.39) ALDH1A1CA2RAB9ANPC1GAA
SCHEMBL16433626 0.69 CHRNB2 (0.34) CA2RAB9ANPC1GAA
SCHEMBL3076329 0.69 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2RAB9ANPC1

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 SELL 3282/4885SELP 3648/4885SELE 3334/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 SELL 2964/4885SELP 3589/4885SELE 3213/4885

“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.