SCHEMBL13995993

SCHEMBL13995993

CCNC(CC(C)C)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC6A4 P31645 1/20 0.31
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL172646 0.88 LMNA (0.40) ALDH1A1TSHRMAPK1LMNACNR1
SCHEMBL23844645 0.84 LMNA (0.48) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL8367371 0.84 LMNA (0.48) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL27388121 0.84 LMNA (0.48) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL13996014 0.80
SCHEMBL26143506 0.78 PLA2G10 (0.42) ALDH1A1TSHRMMP3
SCHEMBL20438358 0.78 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL24332028 0.76 SLC6A4 (0.32) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL62860 0.75
Ether SCHEMBL9546950 0.75 LMNA (0.40) ALDH1A1TSHRLMNACNR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ALDH1A1 3443/4885TSHR 53/4885MAPK1 4415/4885

“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.