SCHEMBL22314601

SCHEMBL22314601

CC(=O)NC(C)CCNC(C)C(=O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.33
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21452520 0.79 MTNR1A (0.37) ACACBMTNR1AMTNR1BALDH1A1ALOX15
SCHEMBL21452634 0.76 TRPV1 (0.37) ACACBMTNR1AMTNR1BALDH1A1ALOX15
SCHEMBL17560257 0.72 KDM4E (0.46) ACACBMTNR1AMTNR1BALDH1A1TSHR
SCHEMBL13452337 0.72 KISS1R (0.41) ACACBMTNR1AMTNR1BALDH1A1ALOX15
SCHEMBL23992087 0.69 ACACB (0.40) ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL18531990 0.69 MTNR1A (0.42) ACACBMTNR1AMTNR1BALDH1A1ALOX15
SCHEMBL21452443 0.68 ACACB (0.36) ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL24520557 0.68 ACACB (0.38) ACACBMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL18520329 0.68
SCHEMBL8435514 0.68

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-20200246480-A1 ANTI-CD22 ANTIBODY-MAYTANSINE CONJUGATES AND METHODS OF USE THEREOF ARES CAPITAL CORPORATION, AS COLLATERAL AGENT 2020-08-06 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-20200246480-A1 ANTI-CD22 ANTIBODY-MAYTANSINE CONJUGATES AND METHODS OF USE THEREOF CD22, CD2, CD2BP2 ACACB 4367/4885MTNR1A 1611/4885MTNR1B 1204/4885

“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.