SCHEMBL2233743

SCHEMBL2233743

CCCCCC1(CCO)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
CETP P11597 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PRKCA P17252 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27484355 0.90 LMNA (0.52) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL30501696 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
SCHEMBL25392534 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
SCHEMBL30501669 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
SCHEMBL25390367 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
SCHEMBL25392376 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
SCHEMBL25392277 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
SCHEMBL5712582 0.89 TSHR (0.35) MEN1KMT2ATSHRSIRT2CETP
Phosphine SCHEMBL28085949 0.88 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL23533453 0.87 LMNA (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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-2528907-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES Allergan, Inc. (US) 2012-12-05 EP disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
WO-2011094225-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 WO disclosed
WO-2011094225-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 WO disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 US disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 US disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 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 (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-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES TUBB6, ANXA5, TUBB1 SMN1; SMN2 2479/4885LMNA 2767/4885ALDH1A1 898/4885

“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.