SCHEMBL308118

SCHEMBL308118

CCCC[CH]CC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL8299370 0.93 TSHR (0.37) TSHRADH1BADH1CADH1AADH4
SCHEMBL28100015 0.91 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL10689088 0.91 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL10497894 0.91 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL3337621 0.91 TSHR (0.35) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL27332979 0.89 TSHR (0.34) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL1972051 0.89 TSHR (0.34) TSHRADH1BADH1CADH1AADH4
SCHEMBL27883854 0.86 ADH1B (0.44) TSHRADH1BADH1CADH1AADH4
SCHEMBL27791022 0.86 ADH1B (0.44) TSHRADH1BADH1CADH1AADH4
SCHEMBL16428382 0.85 TSHR (0.42) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-25 US disclosed
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-13 US disclosed
EP-4011454-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION Shuttle Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2022-02-24 US disclosed
US-20220031665-A1 ANTI-PROPROTEIN CONVERTASE SUBTILISIN KEXIN TYPE 9 (ANTI-PCSK9) NANO-FORMULATION OF COMPOUNDS AND METHODS OF USING THE SAME SHIFA BIOMEDICAL CORPORATION 2022-02-03 US disclosed
EP-3877359-A1 ANTI-PROPROTEIN CONVERTASE SUBTILISIN KEXIN TYPE 9 (ANTI-PCSK9) NANO-FORMULATION OF COMPOUNDS AND METHODS OF USING THE SAME Shifa Biomedical Corporation (US) 2021-09-15 EP disclosed
EP-3265073-B1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2021-08-18 EP disclosed
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 US disclosed
EP-3844193-A1 BIS-PHENYL-PHENOXY POLYOLEFIN PROCATALYSTS HAVING TWO ANTHRACENYL LIGANDS Dow Global Technologies LLC (US) 2021-07-07 EP disclosed
EP-3791724-A1 TREATMENT OF BREAST CANCER Medivation Prostate Therapeutics LLC (US) 2021-03-17 EP disclosed
US-20040092559-A1 Bicyclic modulators of androgen receptor function HAMANN LAWRENCE (US) 2004-05-13 US disclosed
EP-1414795-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-05-06 EP disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
US-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 WO disclosed
US-20030195207-A1 3-Aryl-hydroxybenzoxazines and 3, 4-dihydro-3-aryl-hydroxybenzoxazines as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-10-16 US disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 WO disclosed
EP-1023301-A1 A HETEROCYCLIC CHEMICAL COMPOUND PERSTORP AB (SE) 2000-08-02 EP disclosed
WO-1997018220-A1 A HETEROCYCLIC CHEMICAL COMPOUND PERSTORP AB (SE) 1997-05-22 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 (9 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA TSHR 491/4885ALDH1A1 1211/4885ADH1B 1076/4885
US-20240132452-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG TSHR 2502/4885ALDH1A1 911/4885ADH1B 825/4885
US-20220031665-A1 ANTI-PROPROTEIN CONVERTASE SUBTILISIN KEXIN TYPE 9 (ANTI-PCSK9) NANO-FORMULATION OF COMPOUNDS AND METHODS OF USING THE SAME PCSK9, PCSK6, PCSK7 TSHR 3718/4885ALDH1A1 4504/4885ADH1B 2344/4885
US-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA TSHR 365/4885ALDH1A1 763/4885ADH1B 759/4885
US-20030195207-A1 3-Aryl-hydroxybenzoxazines and 3, 4-dihydro-3-aryl-hydroxybenzoxazines as selective estrogen receptor beta modulators ESR2, GPER1, ESR1 TSHR 680/4885ALDH1A1 267/4885ADH1B 1009/4885
US-20040092559-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA TSHR 365/4885ALDH1A1 763/4885ADH1B 759/4885
US-20230109968-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG TSHR 2502/4885ALDH1A1 911/4885ADH1B 825/4885
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG TSHR 2502/4885ALDH1A1 911/4885ADH1B 825/4885
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 TSHR 3646/4885ALDH1A1 3087/4885ADH1B 1811/4885

“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.