SCHEMBL18429993

SCHEMBL18429993

C=C(C)C(=O)OC12CC3CC(CC(OC(=O)O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
DPP4 P27487 1/20 0.31
TSHR P16473 1/20 0.30
ELANE P08246 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL737596 0.93 ALDH1A1 (0.35) ALDH1A1DPP4TSHRNPSR1
SCHEMBL76543 0.89 DPP4 (0.38) ALDH1A1DPP4TSHRNPSR1
SCHEMBL677896 0.87 ALDH1A1 (0.35) ALDH1A1DPP4TSHRNPSR1
SCHEMBL14330862 0.86 ALDH1A1 (0.31) ALDH1A1DPP4
SCHEMBL118634 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1
SCHEMBL19273276 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1
SCHEMBL4859033 0.84 ALDH1A1 (0.31) ALDH1A1DPP4NPSR1
SCHEMBL15281467 0.84 PKM (0.37) ALDH1A1DPP4NPSR1
SCHEMBL10053101 0.84 TSHR (0.40) ALDH1A1DPP4TSHRNPSR1
SCHEMBL13383446 0.84 PKM (0.37) ALDH1A1DPP4NPSR1

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-9897916-B2 Compound, polymer compound, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-20 US disclosed
US-20170038683-A1 COMPOUND, POLYMER COMPOUND, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-09 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-20170038683-A1 COMPOUND, POLYMER COMPOUND, RESIST COMPOSITION, AND PATTERNING PROCESS WDR1, WDR26, LBR ALDH1A1 4414/4885DPP4 4728/4885TSHR 2544/4885

“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.