SCHEMBL3914285

SCHEMBL3914285

C=CC[C@@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CHRM1 P11229 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
SLC6A1 P30531 1/20 0.30
SLC6A12 P48065 1/20 0.30
SLC6A11 P48066 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
SCHEMBL28314893 1.00 NR3C1 (0.35) NR3C1ALDH1A1LMNAESR1PGR
SCHEMBL3914283 1.00 NR3C1 (0.35) NR3C1ALDH1A1LMNAESR1PGR
SCHEMBL8133320 0.78 SLC6A1 (0.33) SLC6A1SLC6A12SLC6A11
SCHEMBL9823369 0.78 SLC6A1 (0.33) NR3C1SLC6A1SLC6A12SLC6A11
SCHEMBL9823374 0.78 SLC6A1 (0.33) NR3C1SLC6A1SLC6A12SLC6A11
Acrylic Acid SCHEMBL29061738 0.76 GPBAR1 (0.31) ALDH1A1GPBAR1
Acrylic Acid SCHEMBL29061734 0.76 GPBAR1 (0.31) ALDH1A1GPBAR1
SCHEMBL6949185 0.76 SLC6A1 (0.30) SLC6A1SLC6A12SLC6A11
SCHEMBL7755842 0.76 GPBAR1 (0.34) GPBAR1SLC6A1SLC6A12SLC6A11
SCHEMBL8755099 0.75 SLC6A1 (0.31) SLC6A1SLC6A12SLC6A11

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-1835902-B1 SPIRO[BORNYL-2,4'-(1,3-DIOXANES)] AND THEIR USES AS FRAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2009-03-11 EP disclosed
US-20080161223-A1 Spirobornyl-2,4-(1,3-Dioxanes)] And Their Uses As Fragrance Ingredients GIVAUDAN SA (CH) 2008-07-03 US disclosed
EP-1835902-A2 SPIRO[BORNYL-2,4'-(1,3-DIOXANES)] AND THEIR USES AS FRAGRANCE INGREDIENTS Givaudan SA (CH) 2007-09-26 EP disclosed
WO-2006072189-A2 SPIRO [BORNYL - 2 , 4' - ( 1 , 3 -DIOXANES) ] AND THEIR USES AS FRAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2006-07-13 WO 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-20080161223-A1 Spirobornyl-2,4-(1,3-Dioxanes)] And Their Uses As Fragrance Ingredients TRPA1, TRPV1, SRD5A1 NR3C1 1352/4885ALDH1A1 14/4885LMNA 2223/4885

“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.