SCHEMBL6897880

SCHEMBL6897880

OCCNCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRIN2D O15399 3/20 0.45
GRIN3B O60391 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2B Q13224 3/20 0.45
GRIN2C Q14957 3/20 0.45
GRIN3A Q8TCU5 3/20 0.45
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
Hydrochloric Acid SCHEMBL6898360 0.98 EPHX2 (0.49) EPHX2MEN1KMT2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1677979 0.87 GRIN2D (0.52) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL21724708 0.81 EPHX2 (0.50) EPHX2MEN1KMT2AALDH1A1P2RX7
Hydrochloric Acid SCHEMBL1072535 0.79 KMT2A (0.50) EPHX2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1677910 0.79 MEN1 (0.61) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL1678202 0.78 EPHX2 (0.49) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL6895072 0.78 EPHX2 (0.44) EPHX2MEN1KMT2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6896888 0.78 EPHX2 (0.44) EPHX2MEN1KMT2AGRIN2DGRIN3B
SCHEMBL4913119 0.78 MEN1 (0.46) EPHX2MEN1KMT2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL27539754 0.78 KMT2A (0.59) EPHX2MEN1KMT2AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH EPHX2 523/4885MEN1 4882/4885KMT2A 4759/4885

“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.