SCHEMBL68480

SCHEMBL68480

ClC(Cl)(Cl)c1c[c]ccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
CYP1A2 P05177 1/20 0.34
KCNN4 O15554 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL9530154 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL18241862 0.81 TSHR (0.33) TSHR
SCHEMBL8554327 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL11900111 0.78 KCNN4 (0.35) TSHRKCNN4ALDH1A1
SCHEMBL18378491 0.78 TSHR (0.31) TSHR
SCHEMBL5376223 0.77
SCHEMBL2093927 0.76 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL18378651 0.76 TSHR (0.30) TSHR
SCHEMBL24702 0.75 TSHR (0.35) TSHRALDH1A1LMNA
SCHEMBL3371 0.75 TSHR (0.48) TSHRALDH1A1

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 1404 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US claimed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US claimed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US claimed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP claimed
EP-0079467-A1 N-substituted O-pyrazol-4-yl-carbamic-acid esters, process for their preparation and their use as biocides BAYER AG (DE) 1983-05-25 EP claimed
EP-4305116-A1 SILICON-BASED COMPOSITIONS AND APPLICATIONS THEREOF Momentive Performance Materials Inc. (US) 2024-01-17 EP disclosed
US-20240010786-A9 POLYOL COMPOSITIONS PRESIDIUM INNOVATIONS, LLC 2024-01-11 US disclosed
US-11751472-B2 Aromatic amine derivative and elecroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2023-09-05 US disclosed
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
US-20230055656-A1 HYDROPHOBIC COATING COMPOSITIONS MOMENTIVE PERFORMANCE MATERIALS INC. 2023-02-23 US disclosed
US-4326878-A Herbicidal and plant-growth-regulating 1,2,4-trisubstituted-1,2,4-triazolidin-3,5-dithiones CHEVRON RESEARCH (US) 1982-04-27 US disclosed
US-4276420-A PRE- AND POST-EMERGENCE CHEVRON RESEARCH COMPANY (US) 1981-06-30 US disclosed
US-4269856-A AN N-TETRACHLOROETHYTHIO-SUBSTITUTED SULFONAMIDE; FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1981-05-26 US disclosed
US-4208348-A MITICIDES CHEVRON RESEARCH COMPANY (US) 1980-06-17 US disclosed
US-4107332-A N-TETRACHLOROETHYLTHIO-SUBSTITUTED SULFONAMIDES CHEVRON RESEARCH COMPANY (US) 1978-08-15 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-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 TSHR 2347/4885CYP1A2 1066/4885KCNN4 411/4885
US-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP TSHR 2855/4885CYP1A2 4728/4885KCNN4 2618/4885
US-11751472-B2 Aromatic amine derivative and elecroluminescence device using the same ALK, ALKBH3, ACVRL1 TSHR 2318/4885CYP1A2 286/4885KCNN4 1549/4885

“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.