SCHEMBL60885

SCHEMBL60885

CCOC(=O)[C@H](C)CCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.56
METAP1 P53582 1/20 0.41
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
MMP2 P08253 1/20 0.38
BMP1 P13497 1/20 0.38
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 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
SCHEMBL60279 1.00 METAP2 (0.56) METAP2METAP1ALDH1A1NPSR1CYP1A2
SCHEMBL8330172 0.84 METAP2 (0.53) METAP2METAP1ALDH1A1NPSR1CYP1A2
SCHEMBL6747210 0.83 METAP2 (0.41) METAP2L3MBTL1
SCHEMBL10959638 0.83 METAP2 (0.56) METAP2METAP1ALDH1A1NPSR1CYP1A2
SCHEMBL10959631 0.83 METAP2 (0.56) METAP2METAP1ALDH1A1NPSR1CYP1A2
SCHEMBL13889046 0.82 METAP2 (0.45) METAP2ALDH1A1NPSR1TSHRTHRB
SCHEMBL8331302 0.82 METAP2 (0.51) METAP2METAP1ALDH1A1NPSR1CYP1A2
SCHEMBL30024362 0.82 EPHX1 (0.54) EPHX1
SCHEMBL3620878 0.81 METAP2 (0.58) METAP2METAP1ALDH1A1NPSR1CYP1A2
SCHEMBL1424631 0.81 METAP2 (0.58) METAP2METAP1ALDH1A1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446021-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof DOGWOOD PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9120754-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof ALLERGAN SALES, LLC 2012-05-24 US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 US disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 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 (3 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-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 METAP2 4390/4885METAP1 4431/4885ALDH1A1 1583/4885
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 METAP2 4390/4885METAP1 4431/4885ALDH1A1 1583/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 METAP2 4390/4885METAP1 4431/4885ALDH1A1 1583/4885

“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.