SCHEMBL25487562

SCHEMBL25487562

Cc1ccc2c(/C=C/C(=O)O)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NFKB1 P19838 1/20 0.45
CA4 P22748 1/20 0.45
KDM4E B2RXH2 5/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL25487541 0.80 ALDH1A1 (0.46) ALDH1A1NFKB1KDM4ELMNAKMT2A
SCHEMBL9837137 0.80 CA1 (0.44) ALDH1A1CA1CA2NFKB1CA4
SCHEMBL9837143 0.80 CA1 (0.44) ALDH1A1CA1CA2NFKB1CA4
SCHEMBL30081467 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL3530814 0.76 ALDH1A1 (0.50) PARP1ALDH1A1CA1CA2NFKB1
SCHEMBL3530817 0.76 ALDH1A1 (0.50) PARP1ALDH1A1CA1CA2NFKB1
SCHEMBL11138672 0.75 PARP1 (0.69) PARP1CA1CA2NFKB1CA4
SCHEMBL8746630 0.75 PARP1 (0.69) PARP1CA1CA2NFKB1CA4
SCHEMBL2145695 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL3527687 0.74 ALDH1A1 (0.50) ALDH1A1CA1CA2CA4KDM4E

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-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto CELGENE CAR LLC (BM) 2023-05-23 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-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto WEE2, WEE1, CDK2 PARP1 1897/4885ALDH1A1 3405/4885CA1 3429/4885

“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.