SCHEMBL4879848

SCHEMBL4879848

C=CCN1CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CASP3 P42574 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
GAA P10253 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
PRCP P42785 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 2/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 2/20 0.30
SCN4A P35499 1/20 0.30

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
Bromide SCHEMBL27629725 0.98 ADRA1D (0.34) ADRA1DADRA1AADRA1BCASP3DRD2
Hydrochloric Acid SCHEMBL27639967 0.98 DRD2 (0.34) ADRA1DADRA1AADRA1BCASP3DRD2
Iodide SCHEMBL11439990 0.98 ADRA1D (0.34) ADRA1DADRA1AADRA1BCASP3DRD2
SCHEMBL17536192 0.81 FAAH (0.36) ADRA1ADRD2ALDH1A1KMT2AMAPK1
SCHEMBL14313918 0.80 MAPK1 (0.32) ADRA1ADRD2ALDH1A1LMNAMAPT
SCHEMBL29128835 0.78 MAPK1 (0.33) ADRA1ADRD2ALDH1A1LMNAKMT2A
SCHEMBL27914484 0.78 P2RX4 (0.33) LMNATSHR
SCHEMBL3714615 0.77 MAPT (0.38) L3MBTL1ALDH1A1LMNAMAPTKMT2A
SCHEMBL10760089 0.77 CHRM2 (0.38) ADRA1ADRD2ALDH1A1LMNAMAPT
SCHEMBL29486049 0.77 MAPT (0.38) L3MBTL1ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981495-A OXIDATION RESISTANCE, (POLY)-1,2-DIHYDROQUINOLINE BETZ LABORATORIES, INC. (US) 1991-01-01 US claimed
US-4941968-A ALKYL-1,2-HIHYDROQUINOLINE COMPOUNDS TO INHIBIT GUM FORMATION BETZ LABORATORIES, INC. (US) 1990-07-17 US claimed
US-11390586-B2 Pyridinium, quinolinium, acridinium, pyrylium, chromenylium or xanthylizum reactive desorption and/or laser ablation ionization matrices and use thereof ANDREN PER (SE) 2022-07-19 US disclosed
EP-3762374-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF Andrén, Per (SE) 2021-01-13 EP disclosed
US-20200407317-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF ANDREN PER (SE) 2020-12-31 US disclosed
CN-111971275-A Pyridinium, quinolinium, acridinium, pyrylium, benzopyrylium or xanthylium reactive desorption and/or laser ablation ionization matrix and use thereof 皮尔·安德伦 2020-11-20 CN disclosed
WO-2019172830-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF ANDREN PER (SE) 2019-09-12 WO disclosed
US-7470292-B2 Mannich base derived from p-substituted phenols or cashew nut shell oil and aromatic diamine; sedimentation, corrosion and water uptake resistance INDIAN OIL CORPORATION LIMITED (IN) 2008-12-30 US disclosed
EP-0628424-B1 Method for marking a surface of an object by means of a laser KONINKL PHILIPS ELECTRONICS NV (NL) 1998-11-04 EP disclosed
US-5783528-A MIXTURE WITH ALKYLATED POLYAROMATIC COMPOUNDS DIVERSEY LEVER, INC. (US) 1998-07-21 US disclosed
US-5554196-A Method of marking a surface of an object by means of a laser light U.S. PHILIPS CORPORATION (US) 1996-09-10 US disclosed
EP-0696634-A1 Stabilization of gasoline and gasoline mixtures EXXON CHEMICAL PATENTS INC. (US) 1996-02-14 EP disclosed
US-5446165-A Crystalline 1-alkyl-2-quinolinium salts ZENECA LIMITED (GB) 1995-08-29 US disclosed
EP-0628424-A1 Method for marking a surface of an object by means of a laser Koninklijke Philips Electronics N.V. (NL) 1994-12-14 EP disclosed
US-4981495-A OXIDATION RESISTANCE, (POLY)-1,2-DIHYDROQUINOLINE BETZ LABORATORIES, INC. (US) 1991-01-01 US disclosed
US-4981495-A OXIDATION RESISTANCE, (POLY)-1,2-DIHYDROQUINOLINE BETZ LABORATORIES, INC. (US) 1991-01-01 US disclosed
US-4941968-A ALKYL-1,2-HIHYDROQUINOLINE COMPOUNDS TO INHIBIT GUM FORMATION BETZ LABORATORIES, INC. (US) 1990-07-17 US disclosed
US-4941968-A ALKYL-1,2-HIHYDROQUINOLINE COMPOUNDS TO INHIBIT GUM FORMATION BETZ LABORATORIES, INC. (US) 1990-07-17 US disclosed
US-4229343-A Azo dyes from an oxadiazolyl-substituted aniline BASF AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4016151-A Phenyl-substituted phthalazone azo dyes with a coupling component of the phenol, napthol, acetoacetarylide, pyrazolone, quinolone, pyridine, pyrimidone or isoquinolone series BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-04-05 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 (2 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-11390586-B2 Pyridinium, quinolinium, acridinium, pyrylium, chromenylium or xanthylizum reactive desorption and/or laser ablation ionization matrices and use thereof KYNU, ANXA5, RAB35 ADRA1D 3461/4885ADRA1A 3382/4885ADRA1B 2571/4885
US-20200407317-A1 PYRIDINIUM, QUINOLINIUM, ACRIDINIUM, PYRYLIUM, CHROMENYLIUM OR XANTHYLIZUM REACTIVE DESORPTION AND/OR LASER ABLATION IONIZATION MATRICES AND USE THEREOF KYNU, ANXA5, RAB35 ADRA1D 3461/4885ADRA1A 3382/4885ADRA1B 2571/4885

“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.