SCHEMBL2701561

SCHEMBL2701561

CC(Cl)(Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNN4 O15554 3/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2B6 P20813 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2743453 0.79 TSHR (0.58) TSHRMAPK1ALDH1A1CYP1A2TAAR1
SCHEMBL686644 0.79 TSHR (0.58) TSHRMAPK1ALDH1A1CYP1A2TAAR1
SCHEMBL42357 0.79 TSHR (0.58) TSHRMAPK1ALDH1A1CYP1A2TAAR1
SCHEMBL642315 0.78 TAAR1 (0.57) TSHRMAPK1ALDH1A1TAAR1ALOX15
Hydrogen Peroxide SCHEMBL9456436 0.77 TSHR (0.55) TSHRMAPK1ALDH1A1CYP1A2TAAR1
SCHEMBL27457970 0.77 TSHR (0.55) TSHRMAPK1ALDH1A1CYP1A2TAAR1
SCHEMBL9727852 0.77 TSHR (0.55) TSHRMAPK1ALDH1A1CYP1A2TAAR1
Tert-Butylbenzene SCHEMBL28171385 0.77 TSHR (0.55) TSHRMAPK1ALDH1A1CYP1A2TAAR1
Hydrogen Sulfide SCHEMBL8003832 0.77 TSHR (0.55) TSHRMAPK1ALDH1A1CYP1A2TAAR1
Hydrochloric Acid SCHEMBL7046771 0.77 TSHR (0.55) TSHRMAPK1ALDH1A1CYP1A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915114-B1 Adhesive polymer and method for preparing the same NITTO DENKO CORP (JP) 2004-02-18 EP claimed
EP-0915114-A1 Adhesive polymer and method for preparing the same NITTO DENKO CORPORATION (JP) 1999-05-12 EP claimed
CN-112654621-B Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2024-05-14 CN disclosed
CN-112654621-A Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2021-04-13 CN disclosed
EP-1578884-B1 POLYMER, PRODUCING METHOD THEREOF, AND PHOTOREFRACTIVE COMPOSITION NITTO DENKO CORP (JP) 2013-04-24 EP disclosed
EP-2261270-B1 Polymer, producing method thereof, and photorefractive composition NITTO DENKO CORP (JP) 2012-05-09 EP disclosed
EP-2261270-A1 Polymer, producing method thereof, and photorefractive composition Nitto Denko Corporation (JP) 2010-12-15 EP disclosed
US-20100152338-A1 NONLINEAR OPTICAL MATERIAL COMPOSITION AND METHOD OF MANUFACTURE NITTO DENKO CORPORATION (JP) 2010-06-17 US disclosed
WO-2008109701-A1 NONLINEAR OPTICAL MATERIAL COMPOSITION AND METHOD OF MANUFACTURE NITTO DENKO CORPORATION (JP) 2008-09-12 WO disclosed
EP-1874891-A2 PHOTOREFRACTIVE COMPOSITION Nitto Denko Corporation (JP) 2008-01-09 EP disclosed
US-7317058-B2 (Meth)acrylate polymer and non-linear optical device material composition NITTO DENKO CORPORATION (JP) 2008-01-08 US disclosed
EP-1578884-A2 POLYMER, PRODUCING METHOD THEREOF, AND PHOTOREFRACTIVE COMPOSITION NITTO DENKO CORPORATION (JP) 2005-09-28 EP disclosed
US-20040265740-A1 Fullerene-containing polymer, producing method thereof, and photorefractive composition YAMAMOTO MICHIHARU (US) 2004-12-30 US disclosed
US-6809156-B2 ACRYLATE BASED POLYMERS HAVING CHARGE TRANSPORT AND NONLINEAR OPTICAL COMPONENTS; INJECTION OR EXTRUSION MOLDING WORKABILITY NITTO DENKO CORPORATION (JP) 2004-10-26 US disclosed
US-20040077794-A1 Fullerene-containing polymer, producing method thereof, and photorefractive composition NITTO DENKO CORPORATION (JP) 2004-04-22 US disclosed
US-6653421-B1 Addition copolymer with pendant carbazole and/or triphenylamine groups; photoconductive (charge transport) and non-linear optical ability; sensitizers, plasticizers NITTO DENKO CORPORATION (JP) 2003-11-25 US disclosed
WO-2003085065-A2 POLYMER, PRODUCING METHOD THEREOF, AND PHOTOREFRACTIVE COMPOSITION NITTO DENKO CORPORATION (JP) 2003-10-16 WO disclosed
US-6610809-B1 Charge transport and nonlinear optical ability; living radical polymerization, initiator, transition metal catalyst and a ligand reversibly forming a complex with the transition metal catalyst; acrylic ester monomer NITTO DENKO CORPORATION (JP) 2003-08-26 US disclosed
US-6284934-B1 SEPARATION OF HALOALKYLBENZENES, EXPOSURE TO BROMINE, REACTION TO FORM HYDROGEN BROMIDE AND HEATING OCCIDENTAL CHEMICAL CORPORATION 2001-09-04 US disclosed
WO-2001051437-A1 REDUCING META CONTENT OF ISOMERIC MIXTURES OF HALO SUBSTITUTED ALKYLBENZENES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-07-19 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 (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-20100152338-A1 NONLINEAR OPTICAL MATERIAL COMPOSITION AND METHOD OF MANUFACTURE C5, OR10J3, C1S TSHR 3890/4885MAPK1 2650/4885ALDH1A1 2211/4885

“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.