SCHEMBL4861163

SCHEMBL4861163

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SLC22A2 O15244 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30
EPHX2 P34913 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
SCHEMBL4862744 0.87 ALDH1A1 (0.34) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL4862148 0.85 NPC1 (0.30) ALDH1A1NPC1
SCHEMBL6920723 0.84 ALDH1A1 (0.42) ALDH1A1TSHRNPC1SLC22A2SLC47A1
SCHEMBL4862776 0.81 ALDH1A1 (0.33) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL15290898 0.78 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL7737331 0.77 GRIN2D (0.48) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL5901188 0.74 ALDH1A1 (0.36) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL28556200 0.74 ALDH1A1 (0.36) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL3680712 0.73 TSHR (0.49) ALDH1A1TSHRNPC1GRIN2DGRIN3B
SCHEMBL4865804 0.73

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 1544/4885TSHR 3738/4885NPC1 889/4885

“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.