SCHEMBL6825236

SCHEMBL6825236

Brc1ccc2cc(OC3CCCCO3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNK2 Q07912 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
CYP2A6 P11509 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6824651 1.00 DHFR (0.42) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL5897 0.85 TNK2 (0.40) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL11685762 0.84 KDM4C (0.48) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL30812310 0.83 DHFR (0.48) DHFRHSD11B1KDM4C
SCHEMBL2205861 0.83 DHFR (0.48) DHFRHSD11B1KDM4C
SCHEMBL25222940 0.83 DHFR (0.42) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL31052225 0.83 DHFR (0.42) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL15460118 0.82 MEN1 (0.46) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL4898823 0.81 TNK2 (0.43) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL14164822 0.81 HSD11B1 (0.37) DHFRNPC1RAB9AHSD11B1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
WO-2004024060-A2 METALLOPROTEINASE INHIBITORS AND INTERMEDIATES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2004-03-25 WO 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 DHFR 3747/4885NPC1 2708/4885RAB9A 3948/4885

“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.