SCHEMBL4863217

SCHEMBL4863217

C=CC(=O)OCCC12CC3CC(CC(CCOCCCCSCCCC)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 10/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.32
LMNA P02545 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
SCHEMBL4861207 0.93 TSHR (0.38) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4856975 0.93 TSHR (0.43) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4858926 0.86 TSHR (0.38) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL5184861 0.86 TSHR (0.40) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4862799 0.85 MEN1 (0.39) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4862814 0.81 MEN1 (0.40) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4865423 0.80 MEN1 (0.39) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4858689 0.80 TSHR (0.37) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4863222 0.80 TSHR (0.39) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4856987 0.80 TSHR (0.39) TSHRHPGDALDH1A1MEN1KMT2A

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 611/4885ALDH1A1 1544/4885

“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.