SCHEMBL2845613

SCHEMBL2845613

CC[Si](CC)(CC)OC1(CCC(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL6846574 0.78
SCHEMBL6850307 0.74
SCHEMBL6846572 0.72
SCHEMBL9265337 0.69 FFAR4 (0.44) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL31124653 0.67 TSHR (0.37) MEN1KMT2ATSHRFFAR3HDAC3
SCHEMBL31530598 0.67 CYP2C19 (0.33) TSHR
SCHEMBL21858440 0.66 TSHR (0.41) MMEMEN1KMT2ATSHRFFAR3
SCHEMBL29598878 0.66 FFAR3 (0.35) MEN1KMT2ATSHRFFAR3HDAC3
SCHEMBL28139935 0.65 MME (0.39) MMETSHRFFAR3HDAC3HDAC1
SCHEMBL1716741 0.64 TSHR (0.44) MMEMEN1KMT2ATSHRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2025667-B1 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO LTD (JP) 2016-08-10 EP disclosed
US-8796246-B2 9, 10-secopregnane derivative and pharmaceutical NIPPON SHINYAKU CO., LTD. (JP) 2014-08-05 US disclosed
US-20100130454-A1 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2010-05-27 US disclosed
US-20100016263-A1 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2010-01-21 US disclosed
EP-2025667-A1 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2009-02-18 EP disclosed
EP-1829860-A1 9,10-SECOPREGNANE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2007-09-05 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 (2 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-20100130454-A1 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE VDR, CYP2R1, CYP24A1 MME 3737/4885MEN1 2532/4885KMT2A 2808/4885
US-20100016263-A1 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL CYP2R1, VDR, CYP24A1 MME 3938/4885MEN1 2427/4885KMT2A 2331/4885

“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.