SCHEMBL25950417

SCHEMBL25950417

C/C=C\C(=C/C)Oc1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CYP2A6 P11509 2/20 0.53
KMT2A Q03164 4/20 0.47
ALDH1A3 P47895 1/20 0.44
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
STS P08842 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8620440 0.83 KMT2A (0.62) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL8620443 0.83 KMT2A (0.62) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL24677898 0.83 ALDH1A1 (0.47) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL20634390 0.79 LMNA (0.47) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL12153541 0.77 TDP1 (0.46) ALDH1A1KMT2AKDM4EMAPTPARP10
SCHEMBL18461315 0.76 CA4 (0.42) ALDH1A1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL4643258 0.75 KMT2A (0.56) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL24464714 0.74 LTA4H (0.50) ALDH1A1KMT2AMAPTPARP10LMNA
SCHEMBL24236789 0.74 ESR1 (0.41) ALDH1A1KDM4EMAPTLMNATP53
SCHEMBL15177135 0.74 KMT2A (0.41) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E

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-20230227493-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2023-07-20 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-20230227493-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, MC2R, NR3C2 ALDH1A1 2971/4885CYP2A6 677/4885KMT2A 2407/4885

“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.