SCHEMBL15782878

SCHEMBL15782878

CCc1c(C(C)=O)c(O)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.47
POLB P06746 2/20 0.43
GPR35 Q9HC97 1/20 0.43
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
NCEH1 Q6PIU2 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.40
NSD2 O96028 1/20 0.40
MCL1 Q07820 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
SCHEMBL21569596 0.85 NCEH1 (0.46) TRPM4POLBGPR35HPGDMAPT
SCHEMBL6273072 0.80 MEN1 (0.47) POLBHPGDMAPTALDH1A1KDM4E
SCHEMBL2941699 0.80 MAPT (0.49) TRPM4POLBHPGDMAPTALDH1A1
SCHEMBL11233662 0.79 TRPM4 (0.52) TRPM4POLBGPR35HPGDMAPT
SCHEMBL10715607 0.78 TRPM4 (0.50) TRPM4POLBGPR35HPGDMAPT
SCHEMBL2944393 0.76 MEN1 (0.50) TRPM4POLBHPGDMAPTALDH1A1
SCHEMBL15782857 0.76 ALDH1A1 (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL15782860 0.75 CA12 (0.44) POLBGPR35HPGDMAPTALDH1A1
SCHEMBL28264476 0.74 ME2 (0.43) POLBGPR35HPGDALDH1A1KDM4E
SCHEMBL29379734 0.73 GPR35 (0.61) TRPM4POLBGPR35HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC TRPM4 4691/4885POLB 257/4885GPR35 4453/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC TRPM4 4691/4885POLB 257/4885GPR35 4453/4885

“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.