SCHEMBL9282920

SCHEMBL9282920

Cc1cc(C)c2c(c1)OC(C)(C)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 1/20 0.33
PTPN1 P18031 1/20 0.32
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL9286375 0.82 CYP19A1 (0.53) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL13083105 0.82 TDP1 (0.39) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL30645929 0.82 MEN1 (0.42) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL15762161 0.82 MEN1 (0.42) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL26604933 0.76 L3MBTL1 (0.43) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL26604780 0.76 ALDH1A1 (0.38) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL26604835 0.76 TDP1 (0.35) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL27379681 0.76 TSHR (0.38) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL659859 0.76 TSHR (0.45) TSHRALDH1A1NPC1GAAMAPT
SCHEMBL26604929 0.75 ALDH1A1 (0.40) TSHRALDH1A1NPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150182496-A1 MULTIKINASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-02 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 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 (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-20150182496-A1 MULTIKINASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER EGFR, ERBB3, FLT3 TSHR 2298/4885ALDH1A1 1040/4885NPC1 1306/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A TSHR 866/4885ALDH1A1 2605/4885NPC1 1393/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A TSHR 866/4885ALDH1A1 2605/4885NPC1 1393/4885

“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.