SCHEMBL22947672

SCHEMBL22947672

CCCCC(C)Nc1ccc(COC(=O)C(C)(C)CCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37
TBXAS1 P24557 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ELANE P08246 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL22947330 0.93 ELANE (0.41) CA1CA2MMP2CA9TBXAS1
SCHEMBL25046481 0.89 SMN1; SMN2 (0.46) CA1CA2TBXAS1MEN1KMT2A
SCHEMBL25608702 0.88 CA1 (0.36) CA1CA2MMP2CA9MEN1
SCHEMBL26549546 0.81 ROCK2 (0.40) CA1CA2MEN1KMT2AELANE
SCHEMBL21153420 0.79 KMT2A (0.42) TBXAS1MEN1KMT2AELANETDP1
SCHEMBL23899582 0.79 KMT2A (0.42) TBXAS1MEN1KMT2AELANETDP1
SCHEMBL27347729 0.77 CA1 (0.39) CA1CA2MMP2CA9MEN1
SCHEMBL22314998 0.76 KMT2A (0.40) TBXAS1MEN1KMT2AELANETDP1
SCHEMBL22481360 0.74 ELANE (0.39) TBXAS1MEN1KMT2AELANETDP1
SCHEMBL6393090 0.73 ALDH1A1 (0.53) MEN1KMT2AELANETDP1L3MBTL1

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-20210030888-A1 ANTI-TISSUE FACTOR ANTIBODY-DRUG CONJUGATES AND THEIR USE IN THE TREATMENT OF CANCER WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-04 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-20210030888-A1 ANTI-TISSUE FACTOR ANTIBODY-DRUG CONJUGATES AND THEIR USE IN THE TREATMENT OF CANCER F3, F13B, TFPI CA1 1670/4885CA2 3581/4885MMP2 138/4885

“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.