SCHEMBL602024

SCHEMBL602024

CC(C)NC(C)C.N#CCCOP

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.33
GAA P10253 1/20 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
SCHEMBL6891504 1.00 TDP1 (0.35) TDP1TSHRGAA
SCHEMBL9792836 0.84
SCHEMBL5823199 0.81
Hydrochloric Acid SCHEMBL28583405 0.78
SCHEMBL992741 0.77 TDP1 (0.33) TDP1TSHR
SCHEMBL4745787 0.75 TSHR (0.31) TSHR
SCHEMBL2455808 0.75 TDP1 (0.40) TDP1TSHR
SCHEMBL1328556 0.74 TDP1 (0.31) TDP1TSHR
SCHEMBL1402719 0.74 TDP1 (0.31) TDP1TSHR
SCHEMBL27864231 0.72 TSHR (0.50) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 US disclosed
US-7511125-B2 Pyrimidine derivatives for labeled binding partners CARLSBAD (US) 2009-03-31 US disclosed
EP-1223941-B1 THERAPEUTIC TREATMENTS FOR BLOOD CELL DEFICIENCIES USING SREROIDS HOLLIS EDEN PHARMACEUTICALS (US) 2008-11-05 EP disclosed
US-20050020826-A1 Pyrimidine derivatives for labeled binding partners LIN KUEI-YING (US) 2005-01-27 US disclosed
EP-1027364-B1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS INC (US) 2004-12-08 EP disclosed
US-20040220114-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-11-04 US disclosed
US-20040220161-A1 Pharmaceutical compositions and treatment methods-6 BIOVIE INC. 2004-11-04 US disclosed
US-6800743-B2 FOR USE AS LABELS IN DIAGNOSTIC ASSAYS AND IN ENHANCING BINDING TO COMPLEMENTARY BASES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-20040116359-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-06-17 US disclosed
EP-1027364-A2 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS, INC. (US) 2000-08-16 EP disclosed
WO-1999024452-A9 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS INC (US) 1999-08-12 WO disclosed
WO-1999024452-A2 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
US-5763588-A Pyrimidine derivatives for labeled binding partners GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
EP-0719272-A1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
US-5502177-A POLYCYCLIC STRUCTURE BOUND TO OLIGONUCLEOTIDE, FLUORESCENT LABEL, IMMUNOASSAY GILEAD SCIENCES, INC. (US) 1996-03-26 US disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed
WO-1995007918-A2 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS GILEAD SCIENCES, INC. (US) 1995-03-23 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 (4 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-20040220161-A1 Pharmaceutical compositions and treatment methods-6 HSD17B7, HSD3B1, NR5A1 TDP1 2807/4885TSHR 2450/4885GAA 4311/4885
US-20040220114-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 TDP1 2430/4885TSHR 2545/4885GAA 3857/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 TDP1 1701/4885TSHR 1488/4885GAA 4022/4885
US-20050020826-A1 Pyrimidine derivatives for labeled binding partners RBBP4, DDB1, DPYD TDP1 198/4885TSHR 2518/4885GAA 4332/4885

“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.