SCHEMBL14066355

SCHEMBL14066355

CNCCOC(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
ESR1 P03372 3/20 0.47
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL206554 0.85 TDP1 (0.61) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5951090 0.84 KMT2A (0.53) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5816846 0.84 LMNA (0.65) TDP1ALDH1A1KMT2ASCN1ASCN2A
SCHEMBL14947120 0.83 NPC1 (0.67) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5950537 0.83 CA1 (0.59) RAB9ANPC1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL1066508 0.83 KMT2A (0.54) TDP1RAB9ANPC1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1066683 0.82 LMNA (0.62) TDP1ALDH1A1KMT2ASCN1ASCN2A
SCHEMBL23630890 0.81 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL14369871 0.81 TDP1 (0.55) TDP1RAB9ANPC1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1067309 0.81 CA1 (0.58) RAB9ANPC1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234283-A1 Glutathione peroxidase mimetics for treatment of neurodegenerative, pulmonary and inflammatory diseases RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2008-09-25 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-20080234283-A1 Glutathione peroxidase mimetics for treatment of neurodegenerative, pulmonary and inflammatory diseases GPX1, GPX4, MPO TDP1 807/4885RAB9A 3425/4885NPC1 3399/4885

“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.