SCHEMBL19599400

SCHEMBL19599400

C=CCCc1ccc(-c2ccc(Cc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2A6 P11509 1/20 0.40
MMP3 P08254 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
CYP19A1 P11511 2/20 0.38
KIF11 P52732 2/20 0.37
LSS P48449 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
SCHEMBL9457628 0.95 TSHR (0.53) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL6142005 0.90 TSHR (0.49) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL7851897 0.90 TSHR (0.49) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL2968409 0.89 KCNJ1 (0.48) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL19599410 0.89 TSHR (0.64) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL10341661 0.85 TSHR (0.58) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL7851913 0.84 KCNJ1 (0.44) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL16848648 0.82 LOXL2 (0.58) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL14155434 0.82 LOXL2 (0.58) TSHRHSD17B10MMP12MMP13LOXL2
SCHEMBL20777022 0.81 TSHR (0.41) TSHRHSD17B10MMP12MMP13LOXL2

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-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 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-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 TSHR 4461/4885HSD17B10 4543/4885MMP12 60/4885

“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.