SCHEMBL21306552

SCHEMBL21306552

O=C(OCC1C=CCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA5 P30532 1/20 0.50
▸ CHRNA7 P36544 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL28655049 0.76 TDP1 (0.53) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL7811263 0.75 CHRNB2 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL25445958 0.74 CARM1 (0.58) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL22005207 0.74 CARM1 (0.58) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL28413234 0.74 USP2 (0.35) CHRNB2CHRNA4TDP1LMNAALDH1A1
SCHEMBL532785 0.74 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL8447322 0.74 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL11580874 0.74 CHRNA7 (0.45) CHRNA7KMT2AMEN1ATMGAA
SCHEMBL7452740 0.73 CARM1 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL9005573 0.73 CARM1 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123723-B2 Oxidative dehydroxymethylation of alcohols to produce olefins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 — — US disclosed
US-11072569-B2 Normal alpha olefin synthesis using dehydroformylation or dehydroxymethylation CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-07-27 — — US disclosed
US-20200331823-A1 Normal Alpha Olefin Synthesis Using Dehydroformylation or Dehydroxymethylation CHEVRON PHILLIPS CHEMICAL COMPANY LP 2020-10-22 — — US disclosed
US-10723672-B2 Normal alpha olefin synthesis using dehydroformylation or dehydroxymethylation CHERVON PHILLIPS CHEMICAL COMPANY LP (US) 2020-07-28 — — US disclosed
US-20190262819-A1 Oxidative Dehydroxymethylation of Alcohols to Produce Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2019-08-29 — — US disclosed
WO-2019165350-A1 NORMAL ALPHA OLEFIN SYNTHESIS USING DEHYDROFORMYLATION OR DEHYDROXYMETHYLATION BISCHOF STEVEN M (US) 2019-08-29 — — WO disclosed
US-20190263729-A1 Normal Alpha Olefin Synthesis Using Dehydroformylation or Dehydroxymethylation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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 (6 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-20190262819-A1 Oxidative Dehydroxymethylation of Alcohols to Produce Olefins ADH1A, ADH5, ADH1C CHRNB2 2727/4885CHRNA5 3643/4885CHRNA7 3351/4885
US-20200331823-A1 Normal Alpha Olefin Synthesis Using Dehydroformylation or Dehydroxymethylation ADH1A, ADH1C, DHPS CHRNB2 2100/4885CHRNA5 2167/4885CHRNA7 1910/4885
US-11123723-B2 Oxidative dehydroxymethylation of alcohols to produce olefins ADH1A, ADH5, ADH1C CHRNB2 2727/4885CHRNA5 3643/4885CHRNA7 3351/4885
US-10723672-B2 Normal alpha olefin synthesis using dehydroformylation or dehydroxymethylation ADH1A, ADH1C, DHPS CHRNB2 2100/4885CHRNA5 2167/4885CHRNA7 1910/4885
US-20190263729-A1 Normal Alpha Olefin Synthesis Using Dehydroformylation or Dehydroxymethylation ADH1A, ADH1C, DHPS CHRNB2 2100/4885CHRNA5 2167/4885CHRNA7 1910/4885
US-11072569-B2 Normal alpha olefin synthesis using dehydroformylation or dehydroxymethylation ADH1A, ADH1C, DHPS CHRNB2 2100/4885CHRNA5 2167/4885CHRNA7 1910/4885

“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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