SCHEMBL13960683

SCHEMBL13960683

CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1OC(=O)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.78
AKR1C3 P42330 1/20 0.78
PTGFR P43088 8/20 0.62
PTGER3 P43115 5/20 0.62
MGLL Q99685 1/20 0.54
CA2 P00918 1/20 0.52
TBXA2R P21731 2/20 0.51
PTGER1 P34995 3/20 0.49
PTGER4 P35408 2/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL13468604 0.92 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13278024 0.92 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13278021 0.92 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL15655151 0.92 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL4875027 0.92 ABCB11 (0.80) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13960682 0.92 ABCB11 (0.80) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL13960684 0.92 ABCB11 (0.79) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL15698208 0.91 ABCB11 (0.80) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL19200057 0.91 ABCB11 (0.83) ABCB11AKR1C3PTGFRPTGER3MGLL
SCHEMBL12964800 0.90 ABCB11 (0.77) ABCB11AKR1C3PTGFRPTGER3MGLL

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
US-9499478-B2 Substituted cyclopentanes for inducing hair growth ALLERGAN, INC. (US) 2016-11-22 US disclosed
US-9499478-B2 Substituted cyclopentanes for inducing hair growth ALLERGAN, INC. (US) 2016-11-22 US disclosed
US-20150005377-A1 ESTER DERIVATIVES OF BIMATOPROST COMPOSITIONS AND METHODS ALLERGAN, INC. 2015-01-01 US disclosed
US-20150005377-A1 ESTER DERIVATIVES OF BIMATOPROST COMPOSITIONS AND METHODS ALLERGAN, INC. 2015-01-01 US disclosed
US-8865766-B2 Ester derivatives of bimatoprost compositions and methods ALLERGAN, INC. (US) 2014-10-21 US disclosed
US-8865766-B2 Ester derivatives of bimatoprost compositions and methods ALLERGAN, INC. (US) 2014-10-21 US disclosed
US-20120295972-A1 Ester Derivatives of Bimatoprost Compositions and Methods ALLERGAN, INC. 2012-11-22 US disclosed
US-20120295972-A1 Ester Derivatives of Bimatoprost Compositions and Methods ALLERGAN, INC. 2012-11-22 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-20150005377-A1 ESTER DERIVATIVES OF BIMATOPROST COMPOSITIONS AND METHODS BID, CYP3A43, CYP3A7 ABCB11 423/4885AKR1C3 1197/4885PTGFR 69/4885
US-20120295972-A1 Ester Derivatives of Bimatoprost Compositions and Methods BID, CYP3A43, CYP3A7 ABCB11 423/4885AKR1C3 1197/4885PTGFR 69/4885

“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.