SCHEMBL4864608

SCHEMBL4864608

C=C(C)C(=O)OCC12CC3CC(C1)CC(COS(=O)(=O)c1ccccc1C)(C3)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 3/20 0.32
APP P05067 2/20 0.32
SCN9A Q15858 3/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
PRSS1 P07477 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 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
SCHEMBL4858003 0.88 P2RX7 (0.36) P2RX7POLBCYP1A2CYP2C9CYP2C19
SCHEMBL4862175 0.86 P2RX7 (0.35) P2RX7POLBCYP1A2CYP2C9CYP2C19
SCHEMBL4105503 0.79 ALDH1A1 (0.37) KMT2ASCN9AALDH1A1MEN1
SCHEMBL684276 0.78 ALDH1A1 (0.44) POLBKMT2AALDH1A1MEN1
SCHEMBL5184535 0.75 ALDH1A1 (0.34) POLBKMT2ASCN9AALDH1A1MEN1
SCHEMBL4863328 0.74 P2RX7 (0.36) P2RX7POLBCYP1A2CYP2C9CYP2C19
SCHEMBL11608946 0.74 POLB (0.42) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL4863041 0.74 POLB (0.35) P2RX7POLBCYP1A2CYP2C9CYP2C19
SCHEMBL75489 0.73 ALDH1A1 (0.40) KMT2AALDH1A1USP2MEN1
SCHEMBL4873600 0.72 ALDH1A1 (0.39) KMT2AALDH1A1USP2MEN1

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 P2RX7 2256/4885POLB 2191/4885CYP1A2 148/4885

“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.