SCHEMBL12468525

SCHEMBL12468525

C=CC(C)(C)c1cc([C]=O)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ ABCB1 P08183 3/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ UGT1A1 P22309 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 1/20 0.33

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
SCHEMBL7120216 0.83 P4HB (0.38) PTPN1PDE4DABCB1IDH1UGT1A1
SCHEMBL29198614 0.76 KDM4E (0.50) PTPN1PDE4DABCB1IDH1UGT1A1
SCHEMBL2311990 0.71 CA12 (0.56) PTPN1ABCB1IDH1UGT1A1DPP4
SCHEMBL20958247 0.70 ESR1 (0.40) PTPN1PDE4DABCB1IDH1UGT1A1
SCHEMBL1135764 0.70 ALDH1A1 (0.58) PTPN1PDE4DABCB1IDH1UGT1A1
SCHEMBL910546 0.68 APP (0.43) ALDH1A1LMNAALOX15HSD17B10POLB
SCHEMBL7191193 0.67 PTPN1 (0.44) PTPN1PDE4DABCB1IDH1UGT1A1
SCHEMBL3892471 0.67 — —
SCHEMBL30335079 0.65 PTPN1 (0.63) PTPN1ABCB1IDH1UGT1A1DPP4
SCHEMBL6743389 0.63 KDM4E (0.41) LMNAHSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045517-B2 Glycosylated aminocoumarins and methods of preparing and uses of same UNIVERSITY COLLEGE LONDON (GB) 2015-06-02 — — US disclosed
EP-2627661-B1 GLYCOSYLATED AMINOCOUMARINS AND METHODS OF PREPARING AND USES OF SAME UNIV LONDON (GB) 2015-03-18 — — EP disclosed
US-20130274213-A1 GLYCOSYLATED AMINOCOUMARINS AND METHODS OF PREPARING AND USES OF SAME UNIVERSITY COLLEGE LONDON (GB) 2013-10-17 — — US disclosed
EP-2627661-A1 GLYCOSYLATED AMINOCOUMARINS AND METHODS OF PREPARING AND USES OF SAME University College London (GB) 2013-08-21 — — EP disclosed
WO-2012049521-A1 GLYCOSYLATED AMINOCOUMARINS AND METHODS OF PREPARING AND USES OF SAME SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2012-04-19 — — WO 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-20130274213-A1 GLYCOSYLATED AMINOCOUMARINS AND METHODS OF PREPARING AND USES OF SAME GALE, UGGT1, FUT6 PTPN1 3594/4885PDE4D 3321/4885ABCB1 283/4885

“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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