SCHEMBL3631723

SCHEMBL3631723

CCOc1ccc(Nc2cc(C)ccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
GAA P10253 1/20 0.51
EHMT2 Q96KQ7 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL10849132 0.83 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL1921826 0.82 RAPGEF4 (0.63) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3634234 0.81 GAA (0.55) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL8738419 0.81 NQO1 (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL17858219 0.80 RAPGEF4 (0.61) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL16601555 0.80 RAPGEF4 (0.49) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL1921469 0.77 RAPGEF4 (0.57) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL9514574 0.76 NQO1 (0.70) MAPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL49554 0.76 NQO1 (0.70) MAPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL10788095 0.76 SLC2A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
WO-2009076622-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-18 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-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST MAPT 3058/4885RAB9A 2626/4885SMN1; SMN2 3652/4885

“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.