SCHEMBL20207096

SCHEMBL20207096

CC1(C)Oc2cc(Oc3ccc(C=O)cc3)ccc2C(O)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A3 P47895 1/20 0.32
GHSR Q92847 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 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
SCHEMBL23558823 0.78 ALDH1A1 (0.42) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL20187352 0.74 KMT2A (0.39) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL24512557 0.67 PARP10 (0.41) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL8546955 0.66 ALDH1A1 (0.55) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL1663469 0.65 PARP10 (0.65) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL5050902 0.65 PARP10 (0.65) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL23558770 0.64 TSHR (0.39) ALDH1A1SMN1; SMN2KMT2A
Fluoromethane SCHEMBL28219755 0.64 ALDH1A1 (0.62) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL920261 0.64 ALDH1A1 (0.66) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL6853633 0.63 SRC (0.53) PARP10PARP3ALDH1A1CYP2A6KDM4E

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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 PARP10 1704/4885PARP3 2239/4885ALDH1A1 1595/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 PARP10 1704/4885PARP3 2239/4885ALDH1A1 1595/4885

“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.