SCHEMBL4862776

SCHEMBL4862776

C=CC(=O)OC(C)C12CC3CC(CC(C(C)O)(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL28556200 0.94 ALDH1A1 (0.36) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL4858009 0.87 ALDH1A1 (0.32) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL6829154 0.86 DPP4 (0.41) ALDH1A1NPC1
SCHEMBL7083721 0.85 ALDH1A1 (0.41) ALDH1A1NPC1TSHR
SCHEMBL4861163 0.81 ALDH1A1 (0.35) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL15290896 0.78 MEN1 (0.38) ALDH1A1TSHR
SCHEMBL4862148 0.76 NPC1 (0.30) ALDH1A1NPC1
SCHEMBL7737331 0.76 GRIN2D (0.48) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL11098011 0.74
SCHEMBL27672170 0.73 ALDH1A1 (0.35) ALDH1A1NPC1

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 1544/4885NPC1 889/4885GRIN2D 726/4885

“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.