SCHEMBL85686

SCHEMBL85686

CC(C)(C)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 1/20 0.52
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TRPV1 Q8NER1 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.42
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL16281925 0.93 RAB9A (0.63) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL16281935 0.93 KIF11 (0.50) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL16281926 0.93 MAPT (0.47) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL21782373 0.93 RAB9A (0.63) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL24517623 0.87 ELANE (0.43) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL16281923 0.87 APP (0.47) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL16281931 0.87 ALDH1A1 (0.42) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL22883647 0.87 RAB9A (0.57) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL26746 0.86 SLC6A2 (0.44) MAPTRAB9AALDH1A1MAPK1NPC1
SCHEMBL16281932 0.85 TRPV1 (0.43) MAPTRAB9AALDH1A1MAPK1NPC1

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES INNOCURE THERAPEUTICS, INC. (KR) 2023-09-21 US disclosed
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
US-11673864-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-13 US disclosed
US-11673864-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-13 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
EP-3569626-B1 EPOXY RESIN COMPOSITION SUMITOMO SEIKA CHEMICALS (JP) 2023-03-01 EP disclosed
US-20220356289-A1 RESIN COMPOSITION, PREPREG, FILM WITH RESIN, METAL FOIL WITH RESIN, METAL-CLAD LAMINATED BOARD, AND WIRING BOARD PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2022-11-10 US disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1027316-B1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INST TECHNOLOGY (US) 2003-05-21 EP disclosed
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP disclosed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP disclosed
US-20010008942-A1 Synthesis of aryl ethers BUCHWALD STEPHEN L (US) 2001-07-19 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
US-6166226-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-12-26 US disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5847166-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-12-08 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 (6 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 MAPT 2513/4885RAB9A 1639/4885ALDH1A1 1047/4885
US-20010008942-A1 Synthesis of aryl ethers AHR, PAH, PDK1 MAPT 3843/4885RAB9A 1018/4885ALDH1A1 688/4885
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES CRBN, CUL1, PSMB10 MAPT 2906/4885RAB9A 2067/4885ALDH1A1 2741/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 MAPT 4150/4885RAB9A 2128/4885ALDH1A1 1686/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 MAPT 429/4885RAB9A 317/4885ALDH1A1 2379/4885
US-11673864-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 MAPT 2938/4885RAB9A 3216/4885ALDH1A1 1133/4885

“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.