SCHEMBL23701495

SCHEMBL23701495

C=C(C)c1ccc(C(C)CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP2C9 P11712 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9643251 0.82 TAAR1 (0.52) TSHRALOX15ESR1TDP1
Hydrogen Peroxide SCHEMBL11434421 0.79 ALDH1A1 (0.59) TSHRALDH1A1CYP2C9GAAALOX15
SCHEMBL765363 0.79 TSHR (0.54) TSHRALDH1A1CYP2C9GAAALOX15
SCHEMBL598140 0.79 ALDH1A1 (0.52) TSHRALDH1A1CYP2C9GAAALOX15
SCHEMBL6546812 0.79 MEN1 (0.47) TSHRALDH1A1CYP2C9GAAALOX15
SCHEMBL25868778 0.79 ALDH1A1 (0.46) TSHRALDH1A1CYP2C9GAAALOX15
SCHEMBL9176898 0.78 THRA (0.40)
SCHEMBL717192 0.78 HTT (0.52) ALDH1A1CYP2C9GAAMAPTLMNA
SCHEMBL10603240 0.78 ESR1 (0.50) CYP2C9ALOX15NPSR1MAPTLMNA
SCHEMBL9111019 0.77 ALDH1A1 (0.52) TSHRALDH1A1CYP2C9GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-05-25 US disclosed
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-21 US disclosed
US-20210386522-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M INNOVATIVE PROPERTIES COMPANY 2021-12-16 US disclosed
EP-3906969-A1 ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF East China University of Science and Technology (CN) 2021-11-10 EP disclosed
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-08-05 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-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM TSHR 4442/4885ALDH1A1 411/4885CYP2C9 3798/4885
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM TSHR 4442/4885ALDH1A1 411/4885CYP2C9 3798/4885
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment ELL, PCNA, PAM TSHR 4442/4885ALDH1A1 411/4885CYP2C9 3798/4885

“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.