SCHEMBL7084375

SCHEMBL7084375

C=CC(C#N)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
CA3 P07451 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL3804440 0.86 TRPA1 (0.33) TSHRALDH1A1
SCHEMBL2582842 0.77 CYP3A4 (0.33) L3MBTL1ALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL6933929 0.77 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL8519698 0.74 ALDH1A1 (0.32) TSHRHPGDALDH1A1HSD17B10
SCHEMBL28110193 0.74 KDM4E (0.39) TSHRKDM4EMAPTRAB9APOLB
SCHEMBL7141221 0.73 GABRA1 (0.50) GABRA1GABRB2TSHRKDM4EMAPT
SCHEMBL10855944 0.73 GABRA1 (0.50) GABRA1GABRB2TSHRKDM4EMAPT
SCHEMBL1052816 0.71 TSHR (0.46) TSHRKDM4EMAPTL3MBTL1HPGD
SCHEMBL387118 0.71 GABRA1 (0.48) GABRA1GABRB2TSHRKDM4EMAPT
SCHEMBL22144403 0.71 TSHR (0.52) GABRA1GABRB2TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810814-A Preparation of cyanoalkylphenols THE DOW CHEMICAL COMPANY (US) 1989-03-07 US claimed
US-4806673-A Preparation of cyanoalkylphenols from bisphenols THE DOW CHEMICAL COMPANY (US) 1989-02-21 US 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
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
US-4916251-A Cyanoisoalkylation of hydroxy substituted aryl compounds using ketones THE DOW CHEMICAL COMPANY (US) 1990-04-10 US disclosed
US-4810814-A Preparation of cyanoalkylphenols THE DOW CHEMICAL COMPANY (US) 1989-03-07 US disclosed
US-4810814-A Preparation of cyanoalkylphenols THE DOW CHEMICAL COMPANY (US) 1989-03-07 US disclosed
US-4810814-A Preparation of cyanoalkylphenols THE DOW CHEMICAL COMPANY (US) 1989-03-07 US disclosed
US-4806673-A Preparation of cyanoalkylphenols from bisphenols THE DOW CHEMICAL COMPANY (US) 1989-02-21 US disclosed
US-4806673-A Preparation of cyanoalkylphenols from bisphenols THE DOW CHEMICAL COMPANY (US) 1989-02-21 US disclosed
US-4806673-A Preparation of cyanoalkylphenols from bisphenols THE DOW CHEMICAL COMPANY (US) 1989-02-21 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 (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 GABRA1 99/4885GABRB2 26/4885TSHR 3826/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 GABRA1 171/4885GABRB2 36/4885TSHR 3856/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 GABRA1 171/4885GABRB2 36/4885TSHR 3856/4885

“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.