SCHEMBL9283161

SCHEMBL9283161

COc1cc(F)c(F)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTR1A P08908 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.38
XBP1 P17861 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9282871 0.86 POLB (0.39) NSD2POLBMAPTALDH1A1RAB9A
SCHEMBL9282948 0.83 MRGPRX4 (0.44) MAPTNPC1L3MBTL1MAPK1CYP2C19
SCHEMBL175435 0.83 MAPT (0.42) NSD2POLBMAPTALDH1A1RAB9A
SCHEMBL9289088 0.82 FAAH (0.42) KMT2ALMNACYP1A2CYP2C19
SCHEMBL20803784 0.81 NSD2 (0.41) NSD2MAPTALDH1A1RAB9ANPSR1
SCHEMBL11908685 0.79 POLB (0.47) POLBMAPTALDH1A1RAB9ANPSR1
SCHEMBL9285635 0.79 HTR1A (0.44) NSD2POLBMAPTALDH1A1RAB9A
SCHEMBL18602656 0.79 HPGD (0.42) NSD2POLBMAPTALDH1A1RAB9A
SCHEMBL9282939 0.79 LMNA (0.46) POLBMAPTALDH1A1RAB9ANPSR1
SCHEMBL9279956 0.78 POLB (0.42) POLBMAPTALDH1A1RAB9ANPSR1

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 8 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
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
WO-2010129057-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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 (3 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 NSD2 3715/4885POLB 3278/4885MAPT 103/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A NSD2 3715/4885POLB 3278/4885MAPT 103/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A NSD2 3715/4885POLB 3278/4885MAPT 103/4885

“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.