SCHEMBL29794895

SCHEMBL29794895

c1ccc(C2CCc3nc4ccccc4n32)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RIPK1 Q13546 16/20 0.43
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL18151141 0.84 CYP11B1 (0.43) KDM4EALDH1A1RIPK1GLAGAA
SCHEMBL18150957 0.84 CYP11B1 (0.43) KDM4EALDH1A1RIPK1GLAGAA
SCHEMBL18151038 0.84 CYP11B1 (0.43) KDM4EALDH1A1RIPK1GLAGAA
SCHEMBL16797014 0.83 RIPK1 (0.38) RIPK1
SCHEMBL16797001 0.83 RIPK1 (0.38) RIPK1
SCHEMBL16814767 0.83 RIPK1 (0.38) RIPK1
SCHEMBL18150920 0.78 RIPK1 (0.38) RIPK1
SCHEMBL18150993 0.78 CYP11B1 (0.41) RIPK1
SCHEMBL29987466 0.77 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL38651797 0.77 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250269043-A1 TARGETED BIFUNCTIONAL DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2025-08-28 US disclosed
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
CN-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
US-20230087994-A1 TARGETED BIFUNCTIONAL DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-23 US disclosed
CN-115315272-A Targeting difunctional degradation agent 耶鲁大学 2022-11-08 CN disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP 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-20250269043-A1 TARGETED BIFUNCTIONAL DEGRADERS SMURF2, SMURF1, MDM2 KDM4E 1052/4885MEN1 1704/4885ALDH1A1 2930/4885
US-20230087994-A1 TARGETED BIFUNCTIONAL DEGRADERS SMURF2, SMURF1, SSB KDM4E 1051/4885MEN1 1509/4885ALDH1A1 3166/4885

“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.