SCHEMBL7078441

SCHEMBL7078441

CCC[N+](CC)(CC)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.39
ESR2 Q92731 5/20 0.39
ALDH1A1 P00352 5/20 0.38
ADORA3 P0DMS8 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
LMNA P02545 4/20 0.38
CYP3A4 P08684 4/20 0.38
ADRA2A P08913 3/20 0.38
TACR2 P21452 3/20 0.38
SLC6A4 P31645 3/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
PTGS1 P23219 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL5944653 0.79 ACHE (0.38) ALDH1A1MAPTACHECYP1A2TDP1
SCHEMBL5944502 0.76 APOBEC3A (0.40) CHRM1KMT2ATP53CHRM3ACHE
SCHEMBL2486360 0.74 ACHE (0.31) ACHEOPRM1TSHRSMN1; SMN2BLM
SCHEMBL15293598 0.71 APOBEC3A (0.40) CHRM1KMT2ATP53CHRM3ACHE
SCHEMBL26422119 0.71 ACHE (0.42) ESR1ESR2ALDH1A1ADORA3SLC6A2
Hydroquinone SCHEMBL8441656 0.71 LMNA (0.61) ESR1ESR2ALDH1A1ADORA3SLC6A2
SCHEMBL31325824 0.70 FNTA (0.44) ESR1ESR2ALDH1A1ADORA3SLC6A2
Hydroquinone SCHEMBL3095350 0.68 LMNA (0.67) ESR1ESR2ALDH1A1ADORA3SLC6A2
Hydroquinone SCHEMBL6071932 0.68 LMNA (0.67) ESR1ESR2ALDH1A1ADORA3SLC6A2
Hydroquinone SCHEMBL11180188 0.68 LMNA (0.67) ESR1ESR2ALDH1A1ADORA3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US 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
US-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY 2001-10-04 US disclosed
US-6166216-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-26 US disclosed
US-6156748-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-05 US disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS NLN, PRDX5, TXN2 ESR1 4584/4885ESR2 2158/4885ALDH1A1 1209/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 ESR1 4584/4885ESR2 2158/4885ALDH1A1 1209/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 ESR1 4778/4885ESR2 2585/4885ALDH1A1 1309/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 ESR1 4778/4885ESR2 2585/4885ALDH1A1 1309/4885

“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.