SCHEMBL5142985

SCHEMBL5142985

Clc1[c]c2ccc(Cl)cc2cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
F11 P03951 1/20 0.36
AHR P35869 3/20 0.35
NR4A2 P43354 2/20 0.35
CMA1 P23946 1/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
TP53 P04637 2/20 0.35
NOS1 P29475 2/20 0.33
DYRK1A Q13627 1/20 0.33
TSHR P16473 5/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL18207370 0.80 CYP1A2 (0.48) CYP2A6ALDH1A1TDP1LMNAHSD17B10
SCHEMBL9031406 0.77 CYP2A6 (0.43) CYP2A6F11AHRNR4A2CMA1
SCHEMBL5544333 0.76 APP (0.42) TP53TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL48950 0.73 CYP2A6 (0.37) CYP2A6TSHRALDH1A1TDP1LMNA
SCHEMBL1127451 0.73 CYP2A6 (0.43) CYP2A6CYP3A4ALDH1A1TDP1ALOX15
SCHEMBL29644361 0.73 CYP2A6 (0.77) CYP2A6F11AHRNR4A2CMA1
SCHEMBL865990 0.73 CYP2A6 (0.77) CYP2A6F11AHRNR4A2CMA1
SCHEMBL2473615 0.70 CYP2A6 (0.72) CYP2A6F11AHRNR4A2CMA1
SCHEMBL30027002 0.70 CYP2A6 (0.72) CYP2A6F11AHRNR4A2CMA1
Hydrochloric Acid SCHEMBL29200223 0.70 CYP2A6 (0.72) CYP2A6F11AHRNR4A2CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406748-A Set group and layered product 富士胶片株式会社 2017-11-28 CN disclosed
CN-107405870-A Layered product, temporary bond composition and temporary bond film 富士胶片株式会社 2017-11-28 CN disclosed
EP-1285914-B1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-12-19 EP disclosed
EP-1423370-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
EP-1423111-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
EP-1423113-A4 NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
US-20070010562-A1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-01-11 US disclosed
US-7098336-B2 FXR NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-08-29 US disclosed
US-20060148876-A1 Nr3b1 nuclear receptor binding 3-substituted pyrazoles PHENEX PHARMACEUTICALS AG (DE) 2006-07-06 US disclosed
EP-1536799-B1 NOVEL 2-AMINO-4-OXOQUINAZOLONES AS LXR NUCLEAR RECEPTOR BINDING COMPOUNDS WITH PARTIAL AGONISTIC PROPERTIES PHENEX PHARMACEUTICALS AG (DE) 2006-05-10 EP disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
EP-0490224-B1 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF AG (DE) 1996-03-13 EP disclosed
EP-0527378-B1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF AG (DE) 1996-02-28 EP disclosed
US-5362876-A Intermediates for herbicides or plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
US-5308828-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-05-03 US disclosed
EP-0527378-A1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1993-02-17 EP disclosed
EP-0490224-A2 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1992-06-17 EP 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-20070010562-A1 Nr1h4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 CYP2A6 426/4885F11 4628/4885AHR 220/4885
US-20060148876-A1 Nr3b1 nuclear receptor binding 3-substituted pyrazoles NR0B1, NR0B2, NR4A3 CYP2A6 970/4885F11 4063/4885AHR 439/4885

“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.