SCHEMBL5329189

SCHEMBL5329189

NC(=O)CC[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP2A6 P11509 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PAM P19021 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 3/20 0.39
RECQL P46063 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL5330368 0.90 TBXAS1 (0.41) ALDH1A1CYP2A6HTTCYP1A2CYP2D6
SCHEMBL4986436 0.88 TBXAS1 (0.47) ALDH1A1CYP2A6HTTCYP1A2CYP2D6
SCHEMBL7916077 0.86 TBXAS1 (0.46) CYP1A2KDM4EMAPTLMNAHDAC3
SCHEMBL4990558 0.86 TBXAS1 (0.46) CYP1A2KDM4EMAPTLMNAHDAC3
SCHEMBL6037485 0.83 ALDH1A1 (0.52) ALDH1A1CYP2A6CYP1A2CYP2D6SMN1; SMN2
SCHEMBL2541681 0.80 PAM (0.55) ALDH1A1HTTCYP1A2CYP2D6SMN1; SMN2
SCHEMBL2401094 0.80 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6PKMLMNA
SCHEMBL176807 0.78 PAM (0.47) ALDH1A1CYP2A6HTTCYP1A2CYP2D6
SCHEMBL3465968 0.78 TBXAS1 (0.49) ALDH1A1CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL12482498 0.78 TDP1 (0.55) ALDH1A1HTTCYP1A2SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US claimed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO claimed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 US claimed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO disclosed
US-4611075-A Preparation of 4-(α,α-dihydrocarbyl-α-cyano-methyl)phenols ETHYL CORPORATION (US) 1986-09-09 US disclosed
US-4537920-A 4H-1-benzopyrans and lubricant compositions containing same ETHYL CORPORATION (US) 1985-08-27 US disclosed
US-4487722-A Method of preparing 4-(α-hydrocarbyl-α-cyanomethyl)2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-12-11 US disclosed
US-4485051-A Preparation of 4-(α-hydrocarbyl-α-cyanomethyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-27 US disclosed
US-4483800-A Preparation of 4-(α-alkyl-α-cyano-methyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-20 US disclosed
US-4481368-A Process for preparing α-keto-carboxylic acids from acyl halides ETHYL CORPORATION (US) 1984-11-06 US disclosed
US-4481369-A VIA TRICARBONYL(TRIPHENYLPOSPHINE) COBALTATE ETHYL CORPORATION (US) 1984-11-06 US disclosed
US-4082517-A CYCLOPENTADIENYL MANGANESE ANTIKNOCK ETHYL CORPORATION (US) 1978-04-04 US disclosed
US-RE29488-E CYCLOPENTADIENYL MANGANESE TRICARBONYL, CARBOXYMETHOXY-SUCCINIC ACIDS ETHYL CORPORATION (US) 1977-12-06 US disclosed
US-4052171-A FUEL COMPOSITIONS AND ADDITIVE MIXTURES CONTAINING METHANETRICARBOXYLATES FOR REDUCING EXHAUST GAS CATALYST PLUGGING ETHYL CORPORATION (US) 1977-10-04 US disclosed
US-4005993-A CYCLOPENTADIENYL MANGANESE TRICARBONYL, OXYALKYL-MALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-4005992-A CYCLOPENTADIENYL MAGNESIUM TRICARBONYL, OXYMETHYLENEMALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-3958955-A CYCLOPENTADIENYL MANGANESE TRICARBONYL ANTIKNOCK ETHYL CORPORATION (US) 1976-05-25 US disclosed
US-3950145-A ANTIKNOCK ETHYL CORPORATION (US) 1976-04-13 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 (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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1759/4885CYP2A6 2507/4885HTT 3799/4885

“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.