SCHEMBL112286

SCHEMBL112286

Cc1cncc(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.44
AOC3 Q16853 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
TSHR P16473 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PTPN1 P18031 1/20 0.42
LIPE Q05469 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALKBH1 Q13686 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL10101799 0.87 MAPT (0.47) P4HTMAOC3RXRARXRBRXRG
SCHEMBL10102283 0.86 AOC3 (0.45) P4HTMAOC3TSHRMAPTSMN1; SMN2
SCHEMBL15373873 0.86 AOC3 (0.44) P4HTMAOC3RXRARXRBRXRG
SCHEMBL113440 0.85 P2RX7 (0.45) P4HTMAOC3RXRARXRBTSHR
SCHEMBL6128440 0.84 LMNA (0.49) TSHRMAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL6125231 0.82 MAPT (0.51) MAPTTDP1RAB9ANPSR1CYP2C9
SCHEMBL10101770 0.80 MAPT (0.42) P4HTMTSHRPTPN1MAPTTDP1
SCHEMBL10101771 0.80 MAPT (0.42) P4HTMRXRARXRBRXRGTSHR
SCHEMBL10102300 0.80 TSHR (0.39) P4HTMAOC3TSHRPTPN1SMN1; SMN2
SCHEMBL290655 0.79 MAPT (0.41) RXRATSHRPTPN1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-07 US disclosed
US-9073829-B2 Synthesis of tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-07 US disclosed
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
EP-2424834-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO President and Fellows of Harvard College (US) 2012-03-07 EP disclosed
WO-2010126607-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-11-04 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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS P4HTM 2388/4885AOC3 2760/4885RXRA 2402/4885
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TECR, TAOK1, TET1 P4HTM 1758/4885AOC3 3932/4885RXRA 2460/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 P4HTM 3624/4885AOC3 4084/4885RXRA 1581/4885

“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.