SCHEMBL19840682

SCHEMBL19840682

CCCCc1cc(O)cc(O)c1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
PTPN11 Q06124 4/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 3/20 0.57
HPGD P15428 1/20 0.57
PTGES O14684 3/20 0.55
TOP2A P11388 1/20 0.55
TYR P14679 2/20 0.51
PTPN2 P17706 2/20 0.50
PTGS1 P23219 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL19422407 0.89 PTPN1 (0.74) PTPN1MEN1KMT2APTPN11POLB
SCHEMBL18677517 0.86 PTPN1 (0.81) PTPN1MEN1KMT2APTPN11POLB
SCHEMBL30261073 0.86 PTPN1 (0.81) PTPN1MEN1KMT2APTPN11POLB
SCHEMBL22043208 0.84 POLB (0.64) PTPN1MEN1KMT2APTPN11POLB
SCHEMBL15782810 0.83 MEN1 (0.70) PTPN1MEN1KMT2APTPN11POLB
SCHEMBL24206472 0.82 PTGES (0.61) PTPN1PTPN11CYP3A4PTGESTOP2A
SCHEMBL29367141 0.81 PTPN1 (0.78) PTPN1PTPN11PTGESTOP2APTPN2
SCHEMBL9909323 0.81 PTPN1 (0.78) PTPN1PTPN11PTGESTOP2APTPN2
SCHEMBL24079182 0.81 MEN1 (0.46) PTPN1MEN1KMT2APTPN11POLB
SCHEMBL34463357 0.80 PTPN1 (0.76) PTPN1MEN1KMT2APTPN11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 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-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC PTPN1 716/4885MEN1 1643/4885KMT2A 535/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC PTPN1 716/4885MEN1 1643/4885KMT2A 535/4885

“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.