SCHEMBL16687964

SCHEMBL16687964

COC(=O)c1ccc(/C=C/c2cc(/C=C/c3ccc(C(=O)OC)cc3)c(/C=C/c3ccc(C(=O)OC)cc3)cc2/C=C/c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.68
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPT P10636 5/20 0.55
▸ LMNA P02545 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ KDM1A O60341 2/20 0.50
▸ MAOB P27338 1/20 0.50

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
SCHEMBL20437738 0.93 PTPN1 (0.60) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL16687613 0.93 TDP1 (0.65) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL18552316 0.91 PTPN1 (0.67) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL5379059 0.90 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL31301140 0.90 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL71402 0.90 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL71401 0.90 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL2627847 0.90 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL18552317 0.89 PTPN1 (0.72) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL13432576 0.86 MAPT (0.61) PTPN1ALDH1A1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793495-B2 Synthesis of polyaryl substituted aryl compounds BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2020-10-06 — — US disclosed
US-20180215687-A1 SYNTHESIS OF ARYL COMPOUNDS BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2018-08-02 — — US disclosed
WO-2017027933-A1 SYNTHESIS OF ARYL COMPOUNDS BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2017-02-23 — — WO disclosed
US-9023892-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2015-05-05 — — 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-10793495-B2 Synthesis of polyaryl substituted aryl compounds UTS2R, UBTF, UGT1A1 PTPN1 1763/4885ALDH1A1 521/4885MAPT 2569/4885
US-20180215687-A1 SYNTHESIS OF ARYL COMPOUNDS UTS2R, UGT1A1, NAT1 PTPN1 1427/4885ALDH1A1 145/4885MAPT 2008/4885

“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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