SCHEMBL18525331

SCHEMBL18525331

Cc1c(Cl)c(C=O)c(Br)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AR P10275 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
POLB P06746 1/20 0.34
GLRA1 P23415 1/20 0.34
HPD P32754 1/20 0.34

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
SCHEMBL113290 0.87 PTPN1 (0.39) PTPN1THRATHRBLMNAHPGD
SCHEMBL9289257 0.86 MAPT (0.38) THRATHRBLMNANPC1KMT2A
SCHEMBL9287344 0.85 PTPN1 (0.40) PTPN1THRATHRBLMNAHPGD
SCHEMBL9284201 0.84 PTPN1 (0.40) PTPN1THRATHRBLMNAHPGD
SCHEMBL18523541 0.83 PTPN1 (0.39) PTPN1THRATHRBLMNAHPGD
SCHEMBL9287286 0.81 PTPN1 (0.40) PTPN1THRATHRBLMNAHPGD
SCHEMBL18525117 0.81 PTPN1 (0.40) PTPN1THRATHRBLMNAHPGD
SCHEMBL9282794 0.80 PTPN1 (0.38) PTPN1THRATHRBLMNAHPGD
SCHEMBL18511746 0.79 PTPN1 (0.38) PTPN1THRATHRBLMNAHPGD
SCHEMBL18523335 0.79 PTPN1 (0.38) PTPN1THRATHRBLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885THRA 256/4885THRB 395/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885THRA 256/4885THRB 395/4885

“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.