SCHEMBL6137686

SCHEMBL6137686

[CH2]Cc1ccc(-c2ccccc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CDK2 P24941 1/20 0.41
CSNK2A1 P68400 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
FOLH1 Q04609 1/20 0.38
HTR7 P34969 1/20 0.38
RARB P10826 1/20 0.37
WNT3A P56704 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL15413958 0.82 ESR2 (0.60) ESR2MEN1LMNAGAAKMT2A
SCHEMBL10520096 0.82 ESR2 (0.55) ESR2MEN1LMNAGAAKMT2A
SCHEMBL2572842 0.81 CSNK2A1 (0.62) ESR2MEN1LMNAGAAKMT2A
SCHEMBL12050458 0.81 ESR2 (0.53) ESR2MEN1LMNAGAAKMT2A
SCHEMBL31366931 0.81 ESR2 (0.53) ESR2MEN1LMNAGAAKMT2A
SCHEMBL24093211 0.81 ESR2 (0.53) ESR2MEN1LMNAGAAKMT2A
SCHEMBL9562370 0.81 ESR2 (0.53) ESR2MEN1LMNAGAAKMT2A
SCHEMBL20750702 0.80 ESR2 (0.53) ESR2MEN1LMNAGAAKMT2A
SCHEMBL21415408 0.79 ESR2 (0.47) ESR2PPARGPPARAHTR7RARB
SCHEMBL24093362 0.78 ESR2 (0.50) ESR2MEN1LMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199301-B1 Olefination process to itaconate and succinate derivatives PFIZER LTD (GB) 2005-06-08 EP claimed
US-20020188121-A1 Novel olefination process to itaconate and succinate derivatives DERRICK ANDREW MICHAEL (GB) 2002-12-12 US claimed
US-6452041-B1 REACTING ALDEHYDE OF FORMULA RCHO, OR A PROTECTED DERIVATIVE THEREOF SUCH AS A HEMIACETAL OR ADDUCT THEREOF SUCH AS A BISULPHITE, WITH A PHOSPHORUS COMPOUND TO OBTAIN SUCCINATE OR ITACONATE DERIVATIVE PFIZER INC. 2002-09-17 US claimed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 US claimed
EP-1199301-A1 Olefination process to itaconate and succinate derivatives Pfizer Limited (GB) 2002-04-24 EP claimed
EP-1199301-B1 Olefination process to itaconate and succinate derivatives PFIZER LTD (GB) 2005-06-08 EP disclosed
US-6750363-B2 Olefination process to itaconate and succinate derivatives PFIZER, INC. 2004-06-15 US disclosed
US-20020188121-A1 Novel olefination process to itaconate and succinate derivatives DERRICK ANDREW MICHAEL (GB) 2002-12-12 US disclosed
US-6452041-B1 REACTING ALDEHYDE OF FORMULA RCHO, OR A PROTECTED DERIVATIVE THEREOF SUCH AS A HEMIACETAL OR ADDUCT THEREOF SUCH AS A BISULPHITE, WITH A PHOSPHORUS COMPOUND TO OBTAIN SUCCINATE OR ITACONATE DERIVATIVE PFIZER INC. 2002-09-17 US disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 US disclosed
EP-1199301-A1 Olefination process to itaconate and succinate derivatives Pfizer Limited (GB) 2002-04-24 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 (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-20020188121-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, OGDH, HADHA ESR2 1899/4885MEN1 3498/4885LMNA 4684/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH ESR2 3015/4885MEN1 3506/4885LMNA 4630/4885

“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.