SCHEMBL4860247

SCHEMBL4860247

C=CC(=O)OCC12CC3CC(CC(COCCCSCCC)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 7/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
GBA2 Q9HCG7 1/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4858926 0.93 TSHR (0.38) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL4863687 0.88 MEN1 (0.36) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL4865327 0.87 HPGD (0.35) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL4861207 0.86 TSHR (0.38) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL4863991 0.85 ALDH1A1 (0.37) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL4864083 0.84 L3MBTL1 (0.34) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL4858689 0.83 TSHR (0.37) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL5184861 0.81 TSHR (0.40) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL822920 0.79 ALDH1A1 (0.46) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4863217 0.79 TSHR (0.40) TSHRHPGDMEN1KMT2AL3MBTL1

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 TSHR 3738/4885HPGD 611/4885MEN1 1643/4885

“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.