SCHEMBL6960979

SCHEMBL6960979

CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
ALOX5 P09917 2/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
SYK P43405 1/20 0.46
TNFRSF1A P19438 1/20 0.45
MEN1 O00255 1/20 0.44
GALR3 O60755 1/20 0.44

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
SCHEMBL12324390 0.86 GAA (0.53) GAAALDH1A1TDP1LMNARECQL
SCHEMBL11636683 0.84 GAA (0.52) GAAALDH1A1TDP1LMNARECQL
SCHEMBL4799286 0.84 HDAC1 (0.52) GAAALDH1A1TDP1LMNARECQL
SCHEMBL1708401 0.82 GAA (0.58) GAAALDH1A1TDP1LMNARECQL
SCHEMBL27277330 0.82 LMNA (0.46) GAAALDH1A1TDP1LMNARECQL
SCHEMBL11437810 0.81 MAOB (0.53) GAAALDH1A1TDP1LMNARECQL
SCHEMBL8169677 0.80 LMNA (0.45) GAAALDH1A1TDP1LMNARECQL
SCHEMBL11632170 0.79 PTGS1 (0.56) GAAALDH1A1TDP1LMNARECQL
SCHEMBL8608128 0.79 ALOX5 (0.45) GAAALDH1A1TDP1LMNARECQL
Hydrochloric Acid SCHEMBL8507210 0.79 LMNA (0.44) GAAALDH1A1TDP1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374054-B1 INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES OBTAINED, THEIR USE AS MEDICINES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-10-06 EP claimed
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US disclosed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US disclosed
US-20020177595-A1 Novel compounds useful as neuro-protective agents PANETTA JILL ANN (US) 2002-11-28 US disclosed
US-6472387-B1 Methods of using compounds as neuro-protective agents ELI LILLY AND COMPANY 2002-10-29 US disclosed
US-6448396-B2 2-((3,5-DIALKYL-4-HYDROXYPHENYL-4-(2-(AMINOALKYLPHENOXY)ETHYL) OXAZOLES; ANTIISCHEMIC AGENTS; REPERFUSION INJURY OF PERIPHERAL ORGANS; FREE RADICAL ANTAGONISTS; PARKINSON'S AND ALZHEIMER'S DISESES; DOWN'S SYNDROME; AMYOTROPHIC LATERAL S. ELI LILLY AND COMPANY 2002-09-10 US disclosed
US-6423709-B1 FOR THERAPY OF ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYTROPHIC LATERAL SCLEROSIS OR CEREBRAL TRAUMA IN A MAMMAL ELI LILLY AND COMPANY 2002-07-23 US disclosed
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 US disclosed
US-6380213-B1 PHENYL OXAZOLES, THIAZOLES, OXAZOLINES, OXADIAZOLES AND BENZOXAZOLES ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0908186-A2 Method for treating pain ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0908180-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating pain ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0906755-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating neuropathic pain ELI LILLY AND COMPANY (US) 1999-04-07 EP disclosed
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009829-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
US-5436244-A Antiarrhythmia agents ROUSSEL UCLAF (FR) 1995-07-25 US disclosed
US-5348971-A Indanes useful as analgesics ROUSSEL UCLAF (FR) 1994-09-20 US disclosed
EP-0374054-A1 Indane derivatives, process for their preparation and intermediates obtained, their use as medicines, and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1990-06-20 EP disclosed
US-4128664-A Substituted benzamides as anti-inflammatory agents RIKER LABORATORIES, INC. (US) 1978-12-05 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 (3 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-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 GAA 3608/4885ALDH1A1 1209/4885TDP1 2092/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 GAA 3203/4885ALDH1A1 1309/4885TDP1 1862/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 GAA 3203/4885ALDH1A1 1309/4885TDP1 1862/4885

“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.