SCHEMBL732879

SCHEMBL732879

Clc1cn(-c2ccccc2)c2cc[c]cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RORC P51449 6/20 0.35
NR4A2 P43354 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PLA2G4A P47712 1/20 0.32
DYRK1A Q13627 1/20 0.32
FGFR1 P11362 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTR7 P34969 1/20 0.30
ESRRA P11474 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
SCHEMBL695827 0.84 KCNH2 (0.43) ALDH1A1
SCHEMBL695359 0.80 SCN2B (0.42) KDM4EPOLBCTDSP1RORCNR4A2
SCHEMBL694065 0.80 ALDH1A1 (0.36) KDM4EPOLBCTDSP1RORCNR4A2
SCHEMBL733151 0.79 DYRK1A (0.47) KDM4EPOLBCTDSP1NR4A2HPGD
SCHEMBL22172195 0.78 KDM4E (0.56) KDM4EPOLBCTDSP1RORCNR4A2
SCHEMBL25328590 0.72 IMPDH2 (0.34) NPSR1ALDH1A1
SCHEMBL975120 0.71 L3MBTL1 (0.56) KDM4EALDH1A1
SCHEMBL731028 0.70 DYRK1A (0.32) KDM4EPOLBCTDSP1NR4A2DYRK1A
SCHEMBL16719679 0.70 FGFR1 (0.38) RORCHPGDPLA2G4AFGFR1
SCHEMBL22247818 0.69 HTR7 (0.49) KDM4EPOLBCTDSP1RORCNR4A2

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 KDM4E 3445/4885POLB 3207/4885CTDSP1 1628/4885

“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.