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Sugi Predict / Compounds / SCHEMBL6736649

SCHEMBL6736649

SCHEMBL6736649

Cc1cc(C=O)c(OCCOCCOCCOc2c(C=O)cc(C)cc2C=O)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.49
▸ ERN1 O75460 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7284734 0.88 SRC (0.52) SRCERN1ALDH1A1HPGDHTT
SCHEMBL7283876 0.86 SRC (0.50) SRCERN1ALDH1A1HPGDHTT
SCHEMBL22897454 0.85 SRC (0.44) SRCERN1ALDH1A1HPGDKMT2A
SCHEMBL7290764 0.83 SRC (0.47) SRCERN1ALDH1A1MAPTL3MBTL1
SCHEMBL9146840 0.79 SRC (0.44) SRCERN1ALDH1A1KMT2AMEN1
SCHEMBL7283882 0.78 SRC (0.50) SRCERN1ALDH1A1HPGDHTT
SCHEMBL7283891 0.78 SRC (0.50) SRCERN1ALDH1A1HPGDHTT
SCHEMBL30251825 0.75 SRC (0.47) SRCERN1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6508732 0.75 SRC (0.44) SRCERN1ALDH1A1KMT2AMAPT
SCHEMBL22906085 0.75 ALDH1A1 (0.38) SRCALDH1A1HPGDHTTSMN1; SMN2

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 SRC 1559/4885ERN1 3950/4885ALDH1A1 4017/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 SRC 1735/4885ERN1 3964/4885ALDH1A1 3961/4885

“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.