SCHEMBL20702293

SCHEMBL20702293

C=CCOCC#Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL9834499 0.84 APP (0.53) APPALDH1A1KDM4ECHRM2CHRM1
SCHEMBL18980591 0.81 APP (0.41) APPALDH1A1KDM4ECHRM2CHRM1
SCHEMBL18980593 0.81 APP (0.41) APPALDH1A1KDM4ECHRM2CHRM1
SCHEMBL19010037 0.80 LMNA (0.41) TSHRKDM4ECHRM2CHRM1GRM5
SCHEMBL8706112 0.80 CYP1A2 (0.44) APPALDH1A1CYP3A4KDM4ECA12
SCHEMBL18980647 0.79 RARB (0.38) APPTSHRSMN1; SMN2KCNH2MAPT
SCHEMBL18980910 0.76 KIF11 (0.35) SMN1; SMN2KCNH2EGLN1
SCHEMBL6201292 0.74 APP (0.55) APPALDH1A1CYP3A4KDM4ECHRM2
SCHEMBL23005133 0.73 CHRM2 (0.37) APPALDH1A1TP53CYP3A4ALOX15
1-Allyloxy-4-Methoxybenzene SCHEMBL2843640 0.73 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4ALOX15TSHR

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-11168097-B2 Photochemical methods of making cyclobutane boronates and related compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-11-09 — — US disclosed
US-11168097-B2 Photochemical methods of making cyclobutane boronates and related compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-11-09 — — US disclosed
US-20200223870-A1 PHOTOCHEMICAL METHODS OF MAKING CYCLOBUTANE BORONATES AND RELATED COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-07-16 — — US disclosed
US-20200223870-A1 PHOTOCHEMICAL METHODS OF MAKING CYCLOBUTANE BORONATES AND RELATED COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-07-16 — — US disclosed
US-10618917-B2 Photochemical methods of making cyclobutane boronates and related compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-04-14 — — US disclosed
US-20190040085-A1 PHOTOCHEMICAL METHODS OF MAKING CYCLOBUTANE BORONATES AND RELATED COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-02-07 — — US disclosed
US-20190040085-A1 PHOTOCHEMICAL METHODS OF MAKING CYCLOBUTANE BORONATES AND RELATED COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-02-07 — — 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 (4 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-11168097-B2 Photochemical methods of making cyclobutane boronates and related compounds BLVRB, CYP11B2, CYP11B1 APP 1244/4885ALDH1A1 1603/4885TP53 3277/4885
US-20190040085-A1 PHOTOCHEMICAL METHODS OF MAKING CYCLOBUTANE BORONATES AND RELATED COMPOUNDS BLVRB, CYP11B1, CYP11B2 APP 1241/4885ALDH1A1 1582/4885TP53 3250/4885
US-10618917-B2 Photochemical methods of making cyclobutane boronates and related compounds BLVRB, CYP11B2, CYP11B1 APP 1244/4885ALDH1A1 1603/4885TP53 3277/4885
US-20200223870-A1 PHOTOCHEMICAL METHODS OF MAKING CYCLOBUTANE BORONATES AND RELATED COMPOUNDS BLVRB, CYP11B2, CYP11B1 APP 1244/4885ALDH1A1 1603/4885TP53 3277/4885

“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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