SCHEMBL13049776

SCHEMBL13049776

C[S+]([O-])c1ccc(-c2oc3ccccc3c2CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RET P07949 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ KDM4E B2RXH2 6/20 0.36

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
SCHEMBL13049701 0.81 LMNA (0.57) LMNATP53RETTSHRALOX12
SCHEMBL2962849 0.80 KMT2A (0.53) LMNATP53RETTSHRALOX12
SCHEMBL13049706 0.79 PTPN1 (0.45) LMNATP53RETTSHRALOX12
SCHEMBL13080176 0.78 CYP3A4 (0.42) LMNATP53RETTSHRALOX12
SCHEMBL13049703 0.78 PTGS2 (0.59) LMNATP53RETTSHRALOX12
SCHEMBL13049711 0.77 KDM4E (0.49) LMNATP53RETTSHRALOX12
SCHEMBL13049712 0.77 PTGS2 (0.45) LMNATP53RETTSHRALOX12
SCHEMBL13049719 0.75 CYP19A1 (0.55) LMNAHTTALDH1A1CYP3A4HSD17B10
SCHEMBL13049721 0.75 MAPK14 (0.49) LMNATP53RETTSHRALOX12
SCHEMBL13049759 0.74 CYP19A1 (0.52) LMNATP53RETTSHRALOX12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7837981-B2 Methods for imaging soluble A-beta GENERAL ELECTRIC COMPANY (US) 2010-11-23 — — US disclosed
US-7727511-B2 Agents for imaging soluble a-beta GENERAL ELECTRIC COMPANY (US) 2010-06-01 — — US disclosed
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-08-16 — — US disclosed
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-08-16 — — US disclosed
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-06-21 — — 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-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 LMNA 419/4885TP53 1180/4885RET 3492/4885
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 LMNA 691/4885TP53 977/4885RET 3435/4885

“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.

Send feedback