SCHEMBL1534079

SCHEMBL1534079

Cc1c(C(F)(F)F)ccc(O)c1C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
MAOB P27338 2/20 0.43
NSD2 O96028 1/20 0.42
MAPT P10636 8/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 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
SCHEMBL19634982 0.87 MAOB (0.43) HSD17B10HPGDALOX15MAOBNSD2
SCHEMBL1534095 0.83 MAOB (0.41) HPGDALOX15MAOBMAPTRAB9A
SCHEMBL113401 0.81 HSD17B10 (0.51) HSD17B10HPGDALOX15NSD2MAPT
SCHEMBL11906751 0.81 HSD17B10 (0.48) HSD17B10HPGDALOX15NSD2MAPT
SCHEMBL1534069 0.78 ELANE (0.39) HSD17B10HPGDALOX15MAOBMAPT
SCHEMBL1534146 0.77 HSD17B10 (0.52) HSD17B10HPGDALOX15NSD2MAPT
SCHEMBL19628679 0.76 MAOB (0.42) HSD17B10HPGDALOX15MAOBNSD2
SCHEMBL11766953 0.74 HSD17B10 (0.68) HSD17B10HPGDALOX15NSD2MAPT
SCHEMBL11051734 0.73 NSD2 (0.58) HSD17B10HPGDALOX15NSD2MAPT
SCHEMBL10262385 0.71 NSD2 (0.40) HSD17B10HPGDALOX15MAOBNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622496-B Tetracycline compound 四相制药公司 2019-03-05 CN disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
CN-105622496-A Tetracycline compounds TETRAPHASE PHARMACEUTICALS INC 2016-06-01 CN disclosed
CN-102596898-B tetracycline compound TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-01-27 CN disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
CN-102596898-A Tetracycline compound TETRAPHASE PHARMACEUTICALS INC 2012-07-18 CN disclosed
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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 (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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C HSD17B10 695/4885HPGD 2716/4885ALOX15 3971/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 HSD17B10 622/4885HPGD 2910/4885ALOX15 3903/4885

“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.