SCHEMBL61309

SCHEMBL61309

CC(C)(C)C1CCC(CCCCCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.41
SIGMAR1 Q99720 3/20 0.34
CDC25B P30305 1/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.31
HTT P42858 2/20 0.31
UGT2B7 P16662 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL8048263 1.00 LIPA (0.41) LIPASIGMAR1CDC25BLMNAMEN1
SCHEMBL9154269 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL9152747 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL31240230 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL330429 0.84
SCHEMBL330197 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL1534917 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL11691906 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL11880727 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL29596306 0.84 SIGMAR1 (0.42) SIGMAR1LMNAMEN1KMT2AALDH1A1

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 LIPA 4027/4885SIGMAR1 1269/4885CDC25B 1435/4885
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 LIPA 4027/4885SIGMAR1 1269/4885CDC25B 1435/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 LIPA 4027/4885SIGMAR1 1269/4885CDC25B 1435/4885

“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.