SCHEMBL2619340

SCHEMBL2619340

CCC(C)/C=C/CNC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.37
TSHR P16473 4/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
FLT3 P36888 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PAOX Q6QHF9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10271811 0.81 KISS1R (0.40) KISS1RTSHRMTNR1AMTNR1BFLT3
SCHEMBL19398245 0.80 KISS1R (0.33) KISS1R
SCHEMBL3706724 0.79 MTNR1A (0.35) TSHRMTNR1AMTNR1BFLT3KDM4E
SCHEMBL13397644 0.75 KDM4E (0.46) TSHRMTNR1AMTNR1BFLT3KDM4E
SCHEMBL11243921 0.72 KISS1R (0.31) KISS1RMTNR1AMTNR1B
SCHEMBL24298076 0.72 KDM1A (0.41)
SCHEMBL7029874 0.72
SCHEMBL16084908 0.72
SCHEMBL13809944 0.72
SCHEMBL13810085 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 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-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC KISS1R 4786/4885TSHR 2700/4885MTNR1A 3556/4885

“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.