SCHEMBL17570445

SCHEMBL17570445

CCCCO/N=C(\C)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ATM Q13315 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
CYP3A4 P08684 1/20 0.31
CES2 O00748 1/20 0.30
HPGD P15428 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL24506765 0.88 ESR1 (0.33) ESR1NAAACES2
SCHEMBL10705232 0.85
SCHEMBL9945487 0.85
SCHEMBL15865995 0.85
SCHEMBL13020485 0.84 ESR1 (0.43) ESR1ALDH1A1TSHRDGKACES2
SCHEMBL7596120 0.82 ESR1 (0.42) ESR1ALDH1A1TSHRADRB2ADRB1
SCHEMBL7596125 0.82 ESR1 (0.42) ESR1ALDH1A1TSHRADRB2ADRB1
SCHEMBL21728682 0.80 ALDH1A1 (0.42) ESR1ALDH1A1CYP3A4
SCHEMBL13488640 0.80
SCHEMBL10438982 0.78

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-20170021033-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2017-01-26 US disclosed
US-20160067351-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2016-03-10 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 (2 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-20170021033-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES IGLV6-57, PTMS, FCGRT ESR1 1955/4885ALDH1A1 1891/4885TSHR 2869/4885
US-20160067351-A1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES PTMS, FCGR2A, FCGR3B ESR1 4270/4885ALDH1A1 3096/4885TSHR 1669/4885

“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.