SCHEMBL20110944

SCHEMBL20110944

CCC(C)(C)c1c(C)cc(C)cc1OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 14/20 0.43
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ VDR P11473 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ CYP2C9 P11712 1/20 0.33

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
Thiosulfuric Acid SCHEMBL28604408 0.91 ELANE (0.38) ELANEMAPTLMNAALDH1A1CYP3A4
Thiosulfuric Acid SCHEMBL28604410 0.90 ELANE (0.37) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL12673777 0.86 ELANE (0.38) ELANEMAPTLMNAALDH1A1VDR
SCHEMBL18114101 0.85 ELANE (0.44) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL18114060 0.85 ELANE (0.41) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL18121451 0.84 ELANE (0.40) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL18114100 0.84 ELANE (0.40) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL25654130 0.83 ELANE (0.40) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL18114064 0.83 ELANE (0.40) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL18114065 0.81 ELANE (0.38) ELANEMAPTLMNAALDH1A1CYP3A4

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-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2018-05-03 — — 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-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF CBS, TST, STS ELANE 559/4885MAPT 4618/4885LMNA 4368/4885

“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.

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