SCHEMBL6571329

SCHEMBL6571329

CCCc1ccc2[c]cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PDK2 Q15119 1/20 0.32
ALOX5 P09917 1/20 0.32
BCHE P06276 2/20 0.31
NCEH1 Q6PIU2 2/20 0.31

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
SCHEMBL2252201 0.90 SKP2 (0.41) CYP1A2CYP2A6SIGMAR1LPLLIPG
SCHEMBL2252129 0.87 GPR3 (0.42) LPLLIPG
SCHEMBL5746343 0.87 GPR3 (0.42) LPLLIPG
SCHEMBL1972165 0.87 GPR3 (0.42) LPLLIPG
SCHEMBL8625941 0.86 CNR1 (0.39) CNR1CNR2CYP1A2CYP2A6SIGMAR1
SCHEMBL4950178 0.85 CYP1A2 (0.53) CYP1A2CYP2A6SIGMAR1MEN1GAA
SCHEMBL2256224 0.78 SIGMAR1 (0.42) CYP1A2CYP2A6SIGMAR1BCHE
SCHEMBL2254826 0.78 SIGMAR1 (0.42) CYP1A2CYP2A6SIGMAR1BCHE
SCHEMBL7519330 0.77 LMNA (0.39) CYP1A2CYP2A6PDK2
SCHEMBL1970551 0.76 CYP1A2 (0.38) CNR1CNR2CYP1A2CYP2A6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-107085033-A N phenylnaphthalenes aminated compounds as MALDI matrix application 中国科学院化学研究所 2017-08-22 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-1411912-A1 TREATMENT OF CHRONIC PAIN WITH 3-ARYLOXY-3-PHENYLPROPANAMINES PHARMACIA & UPJOHN COMPANY (US) 2004-04-28 EP disclosed
EP-1411934-A1 TREATMENT OF CHRONIC PAIN WITH 3-HETEROCYCLYL- AND 3-CYCLOALKYL-3-ARYLOXYPROPANAMINES PHARMACIA & UPJOHN COMPANY (US) 2004-04-28 EP disclosed
US-20030087965-A1 Treatment of chronic pain with 3-aryloxy-3-phenylpropanamines PHARMACIA & UPJOHN COMPANY 2003-05-08 US disclosed
US-20030087938-A1 Treatment of chronic pain with 3-heterocycloxy-and 3-cycloalkyloxy-3-phenylpropanamines PHARMACIA & UPJOHN COMPANY 2003-05-08 US disclosed
WO-2003011289-A1 TREATMENT OF CHRONIC PAIN WITH 3-HETEROCYCLYL- AND 3-CYCLOALKYL-3-ARYLOXYPROPANAMINES PHARMACIA + UPJOHN COMPANY (US) 2003-02-13 WO disclosed
WO-2003011272-A1 TREATMENT OF CHRONIC PAIN WITH 3-ARYLOXY-3-PHENYLPROPANAMINES PHARMACIA & UPJOHN COMPANY (US) 2003-02-13 WO disclosed
US-6410777-B1 HALOGEN-FREE TEIJIN LIMITED (JP) 2002-06-25 US disclosed
EP-0980861-A1 SALICYLIC ESTER DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2000-02-23 EP disclosed
US-5852221-A Optically active β-aminoalkoxyborane complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-22 US disclosed
US-5808098-A REDUCING AGENT FROM AMINOALCOHOL NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-09-15 US disclosed
EP-0680484-B1 OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES NISSAN CHEMICAL IND LTD (JP) 1998-08-19 EP disclosed
US-5786485-A REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5767277-A REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-06-16 US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CNR1 1008/4885CNR2 915/4885CYP1A2 360/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CNR1 1008/4885CNR2 915/4885CYP1A2 360/4885
US-20030087965-A1 Treatment of chronic pain with 3-aryloxy-3-phenylpropanamines PNMT, OPRL1, OPRK1 CNR1 17/4885CNR2 7/4885CYP1A2 806/4885
US-20030087938-A1 Treatment of chronic pain with 3-heterocycloxy-and 3-cycloalkyloxy-3-phenylpropanamines OPRK1, CNR2, OPRL1 CNR1 4/4885CNR2 2/4885CYP1A2 1025/4885

“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.