SCHEMBL23359386

SCHEMBL23359386

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.48
MAPK14 Q16539 1/20 0.48
CAMK1D Q8IU85 1/20 0.48
HDAC6 Q9UBN7 3/20 0.38
EPHX2 P34913 1/20 0.36
TBXA2R P21731 2/20 0.35
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
S1PR1 P21453 1/20 0.32
CXCR3 P49682 2/20 0.31
SCN9A Q15858 1/20 0.31
ALOX15 P16050 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
SCHEMBL30226116 1.00 RET (0.48) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL23359376 1.00 RET (0.48) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL23359371 1.00 RET (0.48) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL20735243 0.80 RET (0.50) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL15665354 0.75 RET (0.45) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL15665353 0.75 RET (0.45) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL7549733 0.75 RET (0.45) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL14484239 0.75 RET (0.45) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL16656381 0.73 RET (0.51) RETMAPK14CAMK1DHDAC6EPHX2
SCHEMBL9426196 0.72 RET (0.49) RETMAPK14CAMK1DHDAC6EPHX2

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
CN-110520404-B Alpha alkylation of aldehydes with polycyclic olefins 弗门尼舍有限公司 2023-02-07 CN disclosed
EP-3612510-B1 ALPHA ALKYLATION OF ALDEHYDE WITH A POLYCYCLIC OLEFIN FIRMENICH & CIE (CH) 2022-07-06 EP disclosed
US-11319272-B2 Alpha alkylation of aldehyde with a polycyclic olefin FIRMENICH SA (CH) 2022-05-03 US disclosed
US-20210147328-A1 ALPHA ALKYLATION OF ALDEHYDE WITH A POLYCYCLIC OLEFIN FIRMENICH SA (CH) 2021-05-20 US 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-11319272-B2 Alpha alkylation of aldehyde with a polycyclic olefin AKR1C3, ADH1A, ADH1C RET 3305/4885MAPK14 3339/4885CAMK1D 4307/4885
US-20210147328-A1 ALPHA ALKYLATION OF ALDEHYDE WITH A POLYCYCLIC OLEFIN AKR1C3, ADH1A, ADH1C RET 3305/4885MAPK14 3339/4885CAMK1D 4307/4885

“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.