SCHEMBL4110153

SCHEMBL4110153

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 8/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL822920 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL4857762 0.85 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL5186166 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL28917001 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL4116529 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL4105503 0.82 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL4855444 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL10150668 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL16708446 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAATHRB
SCHEMBL6560066 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAATHRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156854-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-18 US disclosed
US-7528279-B2 Adamantane derivatives and process for producing the same IDEMITSU KOSAN CO., LTD. (JP) 2009-05-05 US disclosed
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
US-20070129532-A1 Adamantane derivatives and process for producing the same IDEMITSU KOSAN CO., LTD (JP) 2007-06-07 US disclosed
EP-1712542-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-10-18 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 (2 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
US-20090156854-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ADH1A, ADH5, TAS1R2 ALDH1A1 7/4885MEN1 1030/4885KMT2A 2721/4885

“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.