SCHEMBL16736898

SCHEMBL16736898

CC(C)c1ccc(C2CCCC2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ CACNA1C Q13936 1/20 0.48
▸ TYR P14679 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HDAC4 P56524 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ RNASEH1 O60930 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 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
SCHEMBL2052453 0.93 TRPA1 (0.52) TRPA1PTGS1CACNA1CTYRALDH1A1
SCHEMBL6883018 0.85 SMN1; SMN2 (0.38) TRPA1PTGS1CACNA1CTYRHTT
SCHEMBL11877058 0.84 NUDT1 (0.50) TRPA1PTGS1CACNA1CTYRALDH1A1
SCHEMBL6712511 0.79 QDPR (0.52) TRPA1PTGS1CACNA1CALDH1A1KDM4E
SCHEMBL13499048 0.79 APP (0.41) CHRNB2CHRNA4
SCHEMBL16285922 0.77 APP (0.43) CHRNB2CHRNA4
SCHEMBL20640289 0.76 TRPA1 (0.42) TRPA1TYRALDH1A1MAPTNUDT1
SCHEMBL8716746 0.76 TRPA1 (0.46) TRPA1ALDH1A1HTTGAAHDAC4
SCHEMBL24664746 0.75 PDE2A (0.40) CHRNB2CHRNA4
SCHEMBL13091255 0.75 APP (0.38) HTTTP53SMN1; SMN2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 — — US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 — — US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 — — US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 — — US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 — — US disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 — — WO disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 — — US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 — — US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 — — 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TRPA1 1054/4885PTGS1 1624/4885CACNA1C 506/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TRPA1 1054/4885PTGS1 1624/4885CACNA1C 506/4885

“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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