SCHEMBL867262

SCHEMBL867262

CCC(O)/C(C)=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FBP1 P09467 1/20 0.40
NR1I2 O75469 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM1A O60341 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37

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
SCHEMBL4109907 1.00 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3LMNARECQL
SCHEMBL4109909 1.00 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3LMNARECQL
SCHEMBL867263 1.00 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3LMNARECQL
SCHEMBL11213363 0.81 ALOX5 (0.46) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL11213367 0.81 ALOX5 (0.46) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL13458402 0.79 ALDH1A1 (0.40) ALDH1A1TSHRAKR1C3LMNARECQL
SCHEMBL15184716 0.79 ALDH1A1 (0.40) ALDH1A1TSHRAKR1C3LMNARECQL
SCHEMBL15441226 0.79 ALDH1A1 (0.40) ALDH1A1TSHRAKR1C3LMNARECQL
SCHEMBL7414050 0.78 ALDH1A1 (0.49) ALDH1A1TSHRLMNA
SCHEMBL7414052 0.78 ALDH1A1 (0.49) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442974-B Camphor derivative compound, and production method and use thereof WANG BINGJUN 2014-07-23 CN disclosed
US-8609839-B2 Camphor-derived compounds, method for manufacturing the same, and application thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-12-17 US disclosed
US-8236976-B2 Processes for highly enantio- and diastereoselective synthesis of acyclic epoxy alcohols and allylic epoxy alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 US disclosed
US-8236976-B2 Processes for highly enantio- and diastereoselective synthesis of acyclic epoxy alcohols and allylic epoxy alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 US disclosed
CN-102442974-A Camphor derivative compound, and production method and use thereof BINGJUN WANG 2012-05-09 CN disclosed
US-20120077976-A1 CAMPHOR-DERIVED COMPOUNDS, METHOD FOR MANUFACTURING THE SAME, AND APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 US disclosed
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-06-25 US disclosed
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-06-25 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-20120077976-A1 CAMPHOR-DERIVED COMPOUNDS, METHOD FOR MANUFACTURING THE SAME, AND APPLICATION THEREOF PDE10A, PDE6H, PRKAR2A ALDH1A1 262/4885TSHR 581/4885AKR1C3 77/4885
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols ADH1C, ADH1A, ADH5 ALDH1A1 20/4885TSHR 3376/4885AKR1C3 17/4885

“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.