SCHEMBL4855432

SCHEMBL4855432

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
TGM2 P21980 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL5184535 0.90 ALDH1A1 (0.34) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL4111547 0.89 ALDH1A1 (0.35) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL4862119 0.87 SCN9A (0.32) ALDH1A1
SCHEMBL4118290 0.84 ALDH1A1 (0.35) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL5186166 0.84 ALDH1A1 (0.36) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL4865406 0.84 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL4865784 0.83 ALDH1A1 (0.35) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL5942019 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL4865361 0.80 SCN9A (0.36) ALDH1A1THRBGAAMEN1KMT2A
SCHEMBL4858798 0.78 ALDH1A1 (0.34) ALDH1A1THRBGAAMEN1KMT2A

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 1544/4885THRB 4663/4885GAA 1997/4885

“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.