SCHEMBL4863587

SCHEMBL4863587

C=CC(=O)OCC12CC3CC(C1)CC(OS(=O)(=O)C(F)(F)F)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 3/20 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
SCHEMBL5186166 0.86 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL4857762 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASCN9A
SCHEMBL4862119 0.84 SCN9A (0.32) ALDH1A1SCN9A
SCHEMBL4865300 0.83 SCN9A (0.33) ALDH1A1MEN1KMT2ASCN9A
SCHEMBL4857036 0.82
SCHEMBL16708438 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL822920 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL4865406 0.78 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL1634453 0.76 SCN9A (0.34) ALDH1A1MEN1KMT2ASCN9A
SCHEMBL12932449 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A

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 1544/4885MEN1 1643/4885KMT2A 2612/4885

“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.