SCHEMBL20586347

SCHEMBL20586347

CCCCCCCCCCCCCCCCCC[CH]C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
FAAH O00519 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.44
EPHX1 P07099 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
EP300 Q09472 1/20 0.43
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL28237378 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL9797186 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL27636267 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL9843844 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL10811082 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL7621332 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL28376186 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL1838179 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL351275 1.00
SCHEMBL1834208 1.00 TSHR (0.62) TSHRFAAHTRPV1ALDH1A1THRB

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
CN-109563536-A The active measurement of Lp-PLA2 旭化成制药株式会社 2019-04-02 CN disclosed
US-20180360859-A1 Acyclic Nucleoside Phosphonate Diesters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-20 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-20180360859-A1 Acyclic Nucleoside Phosphonate Diesters NTPCR, PNP, TYMP TSHR 4302/4885FAAH 2559/4885TRPV1 4114/4885

“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.