SCHEMBL4858715

SCHEMBL4858715

C=C(C)C(=O)OCCC12CC3CC(CC(CCS)(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17928898 0.93 MEN1 (0.47) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL3229380 0.88 MEN1 (0.43) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL5001405 0.84 MEN1 (0.56) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL10180570 0.83 MEN1 (0.39) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL4854862 0.83 ALDH1A1 (0.37) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL10233092 0.83 MEN1 (0.39) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL15290898 0.80 ALDH1A1 (0.40) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL4858011 0.80 ALDH1A1 (0.40) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL684276 0.78 ALDH1A1 (0.44) ALDH1A1THRBMEN1KMT2AL3MBTL1
SCHEMBL4873600 0.78 ALDH1A1 (0.39) ALDH1A1THRBMEN1KMT2AMAPT

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 4663/4885MEN1 1643/4885

“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.