SCHEMBL4789782

SCHEMBL4789782

C=CCC1(OC(=O)C23CC4CC(C2)CC(C(=O)OC2(CC=C)C5CC6CC(C5)CC2C6)(C4)C3)C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.32
TGM2 P21980 1/20 0.31
HSD11B1 P28845 1/20 0.30
PKM P14618 1/20 0.30
MAPT P10636 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
SCHEMBL4709960 0.82 NPSR1 (0.43) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4710809 0.82 NPSR1 (0.47) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4711412 0.81 NPSR1 (0.42) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4712592 0.81 NPSR1 (0.42) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4713269 0.81 NPSR1 (0.42) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14877443 0.79 HSD11B1 (0.31) MEN1KMT2AALDH1A1HSD11B1
SCHEMBL4709422 0.78 NPSR1 (0.43) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4713572 0.78 NPSR1 (0.43) NPSR1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1077901 0.77 HSD11B1 (0.30) HSD11B1
SCHEMBL4711670 0.76 NPSR1 (0.42) NPSR1SMN1; SMN2LMNAMEN1KMT2A

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 9 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 claimed
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 claimed
US-20040157923-A1 Novel adamantane derivative IDEMITSU KOSAN CO. LTD. (JP) 2004-08-12 US claimed
EP-1398309-A1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-17 EP claimed
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
JP-2003073339-A NEW ADAMANTANE DERIVATIVE IDEMITSU PETROCHEM CO LTD 2003-03-12 JP 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 131/4885SMN1; SMN2 3427/4885LMNA 4176/4885

“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.