SCHEMBL11906751

SCHEMBL11906751

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
ALPL P05186 3/20 0.40
NSD2 O96028 1/20 0.40
MAPT P10636 6/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.38
P2RX1 P51575 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL1534112 0.86 ALPL (0.47) HSD17B10KDM4EHPGDALPLMAPT
SCHEMBL1534146 0.83 HSD17B10 (0.52) HSD17B10KDM4EHPGDALOX15NSD2
SCHEMBL11907366 0.81 ALPL (0.39) HSD17B10KDM4EALPLMAPTRAB9A
SCHEMBL1534079 0.81 HSD17B10 (0.44) HSD17B10KDM4EHPGDALOX15NSD2
SCHEMBL113401 0.79 HSD17B10 (0.51) HSD17B10KDM4EHPGDALOX15NSD2
SCHEMBL10262385 0.77 NSD2 (0.40) HSD17B10HPGDALOX15ALPLNSD2
SCHEMBL11907125 0.76 ALOX5 (0.41) HPGDNSD2MAPTNPSR1CYP1A2
SCHEMBL11920820 0.73 PTPN1 (0.46) HPGDLMNA
SCHEMBL20860398 0.73 NSD2 (0.38) HSD17B10HPGDALOX15ALPLNSD2
Benzoic Acid SCHEMBL27864693 0.72 RXRA (0.47) HSD17B10KDM4EALOX15MAPTNPSR1

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 16 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
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
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
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 695/4885KDM4E 2659/4885HPGD 2716/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 HSD17B10 622/4885KDM4E 2759/4885HPGD 2910/4885

“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.