SCHEMBL21960098

SCHEMBL21960098

CCCCN(C)C(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.36
SPHK1 Q9NYA1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL13417326 1.00 DNM1 (0.36) DNM1SPHK1ALDH1A1ALDH2CA12
SCHEMBL20056830 0.92 DNM1 (0.46) DNM1SPHK1TSHR
SCHEMBL21302048 0.90 DNM1 (0.50) DNM1SPHK1CA12CA1CA9
SCHEMBL21302042 0.90 DNM1 (0.50) DNM1SPHK1CA12CA1CA9
SCHEMBL22433449 0.90 DNM1 (0.50) DNM1SPHK1CA12CA1CA9
SCHEMBL23695909 0.90 DNM1 (0.50) DNM1SPHK1CA12CA1CA9
SCHEMBL13417325 0.83
SCHEMBL25019158 0.79 DNM1 (0.36) DNM1ALDH1A1ALDH2CA12CA1
SCHEMBL21440017 0.79 ALDH1A1 (0.43) DNM1ALDH1A1CA12CA9TSHR
SCHEMBL18814102 0.78 DNM1 (0.32) DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107558-A1 CDH17 ANTIBODIES AND METHODS OF TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-15 WO disclosed
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2020-04-30 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-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 DNM1 368/4885SPHK1 2633/4885ALDH1A1 3782/4885
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 DNM1 2849/4885SPHK1 4142/4885ALDH1A1 3473/4885

“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.