SCHEMBL18288142

SCHEMBL18288142

CCC(CC)C(=O)/C=C(/CC(C)C)OC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
BIRC2 Q13490 1/20 0.35
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16627670 0.76 ALDH1A1 (0.37) CA2ALDH1A1TDP1
SCHEMBL17177260 0.76 ALDH1A1 (0.42) CA2ALDH1A1TDP1
SCHEMBL19996626 0.75 ALDH1A1 (0.36) CA2USP2TSHRALDH1A1TDP1
SCHEMBL10534323 0.74 NPSR1 (0.46) TSHRALDH1A1TDP1
SCHEMBL10358202 0.74 NPSR1 (0.46) TSHRALDH1A1TDP1
SCHEMBL16373084 0.73 CA1 (0.37) CA2CA1BIRC2USP2TSHR
SCHEMBL16373089 0.72 CA2 (0.39) CA2CA1USP2TSHRALDH1A1
SCHEMBL18288141 0.72 CA2 (0.39) CA2CA1USP2TSHRALDH1A1
SCHEMBL26345845 0.66 CA2 (0.35) CA2CA1USP2TSHRTDP1
SCHEMBL23636187 0.66 CA1 (0.42) CA2CA1USP2TSHR

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-11760770-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-19 US disclosed
US-20160359122-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-12-08 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 (2 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-11760770-B2 Organic electroluminescent materials and devices LEF1, L1CAM, AP1M1 CA2 1130/4885CA1 676/4885BIRC2 1619/4885
US-20160359122-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ZFR, EML4, SOD1 CA2 3165/4885CA1 4166/4885BIRC2 1480/4885

“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.