SCHEMBL26316428

SCHEMBL26316428

CCCC(C(C)C)C(CCC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
OPRM1 P35372 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FDPS P14324 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
SCHEMBL597644 0.92 TSHR (0.40) TSHROPRM1CHRM1AKR1A1CHRM3
SCHEMBL18765448 0.90 TSHR (0.35) TSHRTRPA1TRPV1
SCHEMBL22345154 0.83 METAP1 (0.36) TSHR
SCHEMBL18520646 0.81 OPRM1 (0.38) TSHROPRM1TRPA1TRPV1
SCHEMBL20791965 0.81 OPRM1 (0.38) TSHROPRM1TRPA1TRPV1
SCHEMBL23207686 0.81 TSHR (0.33) TSHR
SCHEMBL17607461 0.81 TSHR (0.33) TSHR
SCHEMBL13674199 0.81 TSHR (0.39) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL18790926 0.81 TSHR (0.33) TSHR
SCHEMBL21235428 0.78 TSHR (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295135-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF ALGEN BIOTECHNOLOGIES, INC. 2023-09-21 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 (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-20230295135-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF CDK9, CDK19, CDK6 TSHR 4152/4885OPRM1 3490/4885CHRM1 4211/4885

“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.