SCHEMBL19600798

SCHEMBL19600798

O/N=C(\Cl)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.43
NAAA Q02083 1/20 0.42
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
FOLH1 Q04609 1/20 0.38
PDE4D Q08499 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL19581014 0.90 TSHR (0.45) TSHRALDH1A1NAAAEPHX2HTT
SCHEMBL21405444 0.88 EPHX2 (0.47) TSHRALDH1A1NAAAEPHX2
SCHEMBL24102739 0.81 TSHR (0.52) TSHRALDH1A1NAAACA1CA2
SCHEMBL33524778 0.81 TSHR (0.52) TSHRALDH1A1NAAACA1CA2
SCHEMBL6211257 0.79 TSHR (0.48) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL6210209 0.79 TSHR (0.48) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL4817280 0.79 TSHR (0.48) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL8178555 0.79 TSHR (0.48) TSHRNAAAHTTSMN1; SMN2CA1
SCHEMBL2639772 0.78 ALDH1A1 (0.55) TSHRALDH1A1EPHX2HTTSMN1; SMN2
SCHEMBL9430086 0.75 KEAP1 (0.50) ALDH1A1HTTSMN1; SMN2CA1CA2

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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2020-02-20 US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA TSHR 1939/4885ALDH1A1 514/4885NAAA 3630/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA TSHR 1939/4885ALDH1A1 514/4885NAAA 3630/4885

“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.