SCHEMBL4712592

SCHEMBL4712592

O=C(OC1(CBr)C2CC3CC(C2)CC1C3)C12CC3CC(C1)CC(C(=O)OC1(CBr)C4CC5CC(C4)CC1C5)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
HSD11B1 P28845 1/20 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
SCHEMBL4710809 0.86 NPSR1 (0.47) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4709960 0.86 NPSR1 (0.43) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4713269 0.84 NPSR1 (0.42) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4711412 0.84 NPSR1 (0.42) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4713572 0.82 NPSR1 (0.43) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4709422 0.82 NPSR1 (0.43) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4789782 0.81 NPSR1 (0.40) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4709385 0.80 NPSR1 (0.42) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4711670 0.80 NPSR1 (0.42) NPSR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL16190055 0.79 NPSR1 (0.41) NPSR1LMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398309-B1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO (JP) 2008-02-20 EP disclosed
US-6833388-B2 1,3-adamantanedicarboxylic acid-bis(2'-alkyl-2'-adamantyl)-esters; photoresist additive; resin heat resistance improver; pharmaceutical and agrochemical intermediates IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-12-21 US disclosed
US-20040157923-A1 Novel adamantane derivative IDEMITSU KOSAN CO. LTD. (JP) 2004-08-12 US disclosed
EP-1398309-A1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-17 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-20040157923-A1 Novel adamantane derivative TAS1R1, TAS2R1, ADORA1 NPSR1 131/4885LMNA 4176/4885SMN1; SMN2 3427/4885

“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.