SCHEMBL23869714

SCHEMBL23869714

CNC(=O)CCCC(=O)NC(CO)(CO)CO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SLC5A1 P13866 3/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL21795201 0.84 HRH3 (0.61) HRH3LMNAALDH1A1SLC5A1RECQL
SCHEMBL22828585 0.83 HRH3 (0.53) HRH3LMNAALDH1A1SLC5A1KDM4E
SCHEMBL8717820 0.81 HRH3 (0.50) HRH3LMNAALDH1A1KDM4EPOLB
SCHEMBL18059195 0.81 HRH3 (0.69) HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23869715 0.80 HRH3 (0.54) HRH3ALDH1A1RECQLMCL1TSHR
SCHEMBL23869706 0.80 HRH3 (0.50) HRH3ALDH1A1KDM4ERECQLNPC1
SCHEMBL8684475 0.79 HRH3 (0.50) HRH3ALDH1A1KDM4E
SCHEMBL10445885 0.79 HRH3 (0.77) HRH3ALDH1A1
SCHEMBL5909180 0.79 LMNA (0.57) LMNAKDM4ERECQLPOLBMCL1
SCHEMBL3760754 0.78 HRH3 (0.81) HRH3ALDH1A1TSHR

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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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 (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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL HRH3 770/4885LMNA 4762/4885ALDH1A1 1600/4885

“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.