SCHEMBL5755022

SCHEMBL5755022

COc1ccc2cc(Br)ccc2c1C=O.O=P(O)(O)Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.54
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NCEH1 Q6PIU2 2/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
RRM1 P23921 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5755021 0.95 ERN1 (0.52) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL3008338 0.90 ERN1 (0.59) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL30067006 0.90 ERN1 (0.59) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL5755025 0.86 ERN1 (0.52) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL6952319 0.81 ERN1 (0.49) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL15414637 0.80 ERN1 (0.46) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL30067092 0.76 ERN1 (0.46) ERN1KDM4EMAPTALDH1A1
SCHEMBL5752881 0.76 RXFP1 (0.50) ERN1POLBRXFP1KDM4EL3MBTL1
SCHEMBL8989547 0.76 ERN1 (0.46) ERN1KDM4EMAPTALDH1A1
SCHEMBL24075465 0.75 L3MBTL1 (0.50) ERN1POLBRXFP1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 ERN1 1564/4885POLB 2225/4885RXFP1 3175/4885

“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.