SCHEMBL7537852

SCHEMBL7537852

CC(CNCCO)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 8/20 0.46
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
LMNA P02545 7/20 0.45
HTT P42858 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.37
MCHR1 Q99705 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 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
SCHEMBL1979112 0.75 NPSR1 (0.48) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A
SCHEMBL11319289 0.74 MEN1 (0.56) SMN1; SMN2POLBNPSR1KMT2AMEN1
SCHEMBL1978581 0.73 SMN1; SMN2 (0.59) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A
SCHEMBL7535855 0.71 DRD4 (0.65) SMN1; SMN2NPSR1KMT2AMEN1LMNA
SCHEMBL4787209 0.68 MEN1 (0.52) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A
SCHEMBL2263025 0.67 CHRM2 (0.64) SMN1; SMN2NPSR1KMT2AMEN1LMNA
SCHEMBL1807039 0.66 MEN1 (0.56) POLBNPSR1KMT2AMEN1CYP1A2
SCHEMBL22654049 0.66 MEN1 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1KMT2A
Hydrochloric Acid SCHEMBL948529 0.66 CHRM2 (0.62) SMN1; SMN2POLBNPSR1KMT2AMEN1
SCHEMBL12298695 0.66 TAAR1 (0.55) SMN1; SMN2L3MBTL1LMNAKDM4EALDH1A1

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-6414179-B1 USEFUL AGENTS IN THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA, ARTHRITIS, INFLAMMATORY BOWEL DISEASE AND NEURODEGENERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
US-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-05-30 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-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors PLA2G4B, PLA2G1B, PLA2R1 SMN1; SMN2 3995/4885POLB 1509/4885L3MBTL1 1452/4885

“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.