SCHEMBL4861136

SCHEMBL4861136

C=CC(=O)OCC12CC3CC(C1)CC(CSC(C)SCC)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4863987 0.85 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL4861144 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL4863693 0.81 MEN1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL822920 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL28917001 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL4862809 0.80 MEN1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL4858698 0.79 TSHR (0.34) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL4864585 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1THRB
SCHEMBL4863687 0.76 MEN1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL4858689 0.76 TSHR (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456311-B2 Adamantane derivative, process for producing the same, and photosensitive material for photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-11-25 US disclosed
US-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-01-10 US disclosed
EP-1803708-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHOTOSENSITIVE MATERIAL FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2007-07-04 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 (1 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-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist LSS, C1S, DHPS ALDH1A1 1544/4885MEN1 1643/4885KMT2A 2612/4885

“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.