SCHEMBL3885364

SCHEMBL3885364

C[CH]CCC(O)C(C)(C)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL28407999 0.82 TSHR (0.43) TSHR
SCHEMBL14764019 0.70
SCHEMBL15786467 0.70
SCHEMBL6407067 0.70
SCHEMBL2721371 0.70
SCHEMBL2116254 0.69
SCHEMBL23607914 0.69 MAPK1 (0.35) TSHR
SCHEMBL3378770 0.69
SCHEMBL270962 0.69
SCHEMBL10026572 0.69 MEN1 (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124819-A1 2-SUBSTITUTED VITAMIN D DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-14 US disclosed
EP-1466900-B1 2-SUBSTITUTED VITAMIN D DERIVATIVES TAKAYAMA HIROAKI (JP) 2009-01-14 EP disclosed
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 US disclosed
US-20060160779-A1 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative WISCONSIN ALUMNI RESEARCH FOUNDATION 2006-07-20 US disclosed
US-20060074255-A1 3-Methyl-20-epi-vitamin D derivatives TAKAYAMA HIROAKI 2006-04-06 US disclosed
EP-1559708-A1 2,2-DI-SUBSTITUTED 1a,25-DIHYDROXY-19-NORVITAMIN D DERIVATIVE Shimizu, Masato (JP) 2005-08-03 EP disclosed
US-20050131242-A1 2-substituted vitamin d derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-16 US disclosed
US-20050119240-A1 1-methyl-20-epi-vitamin d derivative CHUGAI SEIYAKU KAABUSHIKI KAISHA (JP) 2005-06-02 US disclosed
US-20050032754-A1 5,6-Trans-2-alkylvitamin D derivatives HIROAKI TAKAYAMA 2005-02-10 US disclosed
EP-1466900-A1 2-SUBSTITUTED VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-10-13 EP disclosed
US-20040030167-A1 3-Methyl-20-epi-vitamin d derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-02-12 US disclosed
US-20030092687-A1 5,6-Trans-2-alkylvitamin d derivatives HIROAKI TAKAYAMA (JP) 2003-05-15 US disclosed
EP-1310484-A1 1-METHYL-20-EPIVITAMIN D DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-14 EP disclosed
EP-1284259-A1 5,6- i TRANS /i -2-ALKYLVITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-02-19 EP disclosed
CN-1398254-A Vitamin D derivatives having substituents at 2 alpha position CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-02-19 CN disclosed
US-20030022872-A1 Vitamin d derivatives having substituents at the 2 alpha-position TAKAYAMA, HIROAKI (JP) 2003-01-30 US disclosed
EP-1260502-A1 VITAMIN D DERIVATIVES HAVING SUBSTITUENTS AT THE 2ALPHA-POSITION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 EP 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 (9 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-20030092687-A1 5,6-Trans-2-alkylvitamin d derivatives VDR, CYP24A1, CYP2R1 TSHR 190/4885
US-20090124819-A1 2-SUBSTITUTED VITAMIN D DERIVATIVES VDR, CYP2R1, CYP24A1 TSHR 381/4885
US-20040030167-A1 3-Methyl-20-epi-vitamin d derivatives VDR, CYP24A1, CYP2R1 TSHR 882/4885
US-20050032754-A1 5,6-Trans-2-alkylvitamin D derivatives VDR, CYP2R1, CYP24A1 TSHR 155/4885
US-20060160779-A1 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative CYP24A1, CYP2R1, VDR TSHR 575/4885
US-20050131242-A1 2-substituted vitamin d derivatives VDR, CYP2R1, CYP24A1 TSHR 328/4885
US-20060074255-A1 3-Methyl-20-epi-vitamin D derivatives VDR, CYP2R1, CYP24A1 TSHR 844/4885
US-20030022872-A1 Vitamin d derivatives having substituents at the 2 alpha-position VDR, CYP24A1, CYP2R1 TSHR 629/4885
US-20050119240-A1 1-methyl-20-epi-vitamin d derivative CYP24A1, VDR, CYP2R1 TSHR 1177/4885

“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.