SCHEMBL979239

SCHEMBL979239

CN(C)Cc1cc(OCc2ccccc2)no1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL28080632 0.98 SMPD1 (0.43) SMPD1ALDH1A1TSHRBRD4
SCHEMBL17409116 0.83 SMPD1 (0.47) SMPD1BRD4
SCHEMBL190343 0.80 RAB9A (0.62) SMPD1
SCHEMBL12268217 0.80 SMPD1 (0.47) SMPD1BRD4
SCHEMBL322866 0.80 SMPD1 (0.53) SMPD1BRD4
SCHEMBL25025302 0.80 SMPD1 (0.47) SMPD1ALDH1A1BRD4
SCHEMBL15684128 0.80 SMPD1 (0.47) SMPD1BRD4
SCHEMBL13520120 0.80 NOTUM (0.51) SMPD1BRD4
SCHEMBL24578981 0.78 MEN1 (0.44) SMPD1ALDH1A1BRD4
SCHEMBL17726575 0.78 BRD4 (0.49) SMPD1ALDH1A1BRD4

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP disclosed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
EP-1753713-A4 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2009-07-08 EP disclosed
EP-2016044-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2009-01-21 EP disclosed
WO-2007117639-A9 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2008-04-17 WO disclosed
WO-2007117639-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-10-18 WO disclosed
CN-101027279-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE (US) 2007-08-29 CN disclosed
EP-1753713-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-02-21 EP disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 US disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 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 (5 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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC SMPD1 4444/4885ALDH1A1 4455/4885TSHR 466/4885
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC SMPD1 4444/4885ALDH1A1 4455/4885TSHR 466/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC SMPD1 4444/4885ALDH1A1 4455/4885TSHR 466/4885
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF CCNE1, CCNE2, CCNT2 SMPD1 4492/4885ALDH1A1 4622/4885TSHR 385/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC SMPD1 4444/4885ALDH1A1 4455/4885TSHR 466/4885

“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.