SCHEMBL13383281

SCHEMBL13383281

CCC(CC)(OC)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
SHBG P04278 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3689629 0.79 CYP1A2 (0.33) CYP1A2SHBG
SCHEMBL12812741 0.79 CYP1A2 (0.33) CYP1A2SHBGTSHR
SCHEMBL12332561 0.79 CYP1A2 (0.33) CYP1A2SHBGTSHR
SCHEMBL23382447 0.77
SCHEMBL3243951 0.76 CYP1A2 (0.34) CYP1A2SHBGALDH1A1TSHRTDP1
SCHEMBL1562528 0.76 CYP1A2 (0.30) CYP1A2
SCHEMBL4669958 0.74 ADH1A (0.34) CYP1A2TDP1
SCHEMBL4669954 0.74 CYP1A2 (0.30) CYP1A2
SCHEMBL10237134 0.73 EPHX1 (0.34) ALDH1A1
SCHEMBL16414340 0.71 NAAA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11762287-B2 Onium salt compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-19 US disclosed
EP-2177506-A1 POSITIVE RESIST COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION, AND COMPOUND USED IN THE COMPOSITION Fujifilm Corporation (JP) 2010-04-21 EP 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-11762287-B2 Onium salt compound, chemically amplified resist composition and patterning process IDUA, SLC6A5, SLC6A9 CYP1A2 3892/4885SHBG 4615/4885ALDH1A1 4322/4885

“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.