SCHEMBL6089163

SCHEMBL6089163

CCc1ccc(C)[n+]([O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
CA2 P00918 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP2A6 P11509 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
UCHL1 P09936 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
Hydrochloric Acid SCHEMBL5710261 0.98 L3MBTL1 (0.49) L3MBTL1CA2GPR84TP53TAAR1
SCHEMBL16843294 0.80 L3MBTL1 (0.49) L3MBTL1CA2GPR84TAAR1CYP2A6
Hydrochloric Acid SCHEMBL18130131 0.78 L3MBTL1 (0.47) L3MBTL1CA2GPR84TAAR1CYP2A6
SCHEMBL19490388 0.77 L3MBTL1 (0.46) L3MBTL1CA2GPR84
SCHEMBL20128352 0.76 CA2 (0.42) L3MBTL1CA2TP53TAAR1CYP2A6
SCHEMBL12911312 0.76 CA2 (0.42) L3MBTL1CA2TP53TAAR1CYP2A6
SCHEMBL31728098 0.76 CA2 (0.42) L3MBTL1CA2TP53TAAR1CYP2A6
SCHEMBL641620 0.74 TP53 (0.40) L3MBTL1CA2TP53TAAR1CYP2A6
SCHEMBL1842853 0.73 CA2 (0.43) L3MBTL1CA2TP53TAAR1CYP2A6
SCHEMBL641259 0.73 CA2 (0.39) L3MBTL1CA2TP53TAAR1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855996-B1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2002-01-09 EP claimed
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP claimed
US-5998660-A BY-PRODUCT INHIBITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-07 US claimed
CN-1204314-A Process for preparing optically active carboxylic acids UNION CARBIDE CHEM PLASTIC (US) 1999-01-06 CN claimed
EP-0862549-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-09 EP claimed
EP-0855996-A1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-08-05 EP claimed
US-5739385-A OXIDIZING AN OPTICALLY ACTIVE ALDEHYDE WITH A PERACID IN THE PRESENCE OF AN AMINE AND/OR AMINE N-OXIDE CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
WO-1997014668-A9 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS 1997-08-07 WO claimed
WO-1997014668-A1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO claimed
WO-1997014669-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO claimed
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 US disclosed
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods ABS DEVELOPMENT 1, INC. (US) 2023-06-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US disclosed
WO-1997014668-A9 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS 1997-08-07 WO disclosed
WO-1997014668-A1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 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-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 L3MBTL1 3916/4885CA2 879/4885GPR84 119/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 L3MBTL1 4720/4885CA2 389/4885GPR84 2084/4885
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 L3MBTL1 3916/4885CA2 879/4885GPR84 119/4885

“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.