SCHEMBL21291238

SCHEMBL21291238

C#CCOCC(COCC#C)(COCC#C)NC(=O)CCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BBOX1 O75936 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL19249813 0.90 TSHR (0.42) TSHRL3MBTL1ALDH1A1
SCHEMBL25764177 0.85 TSHR (0.46) TSHRPHF8KDM2A
SCHEMBL19249812 0.84 HRH3 (0.40) TSHRL3MBTL1ALDH1A1
SCHEMBL25763425 0.79 TSHR (0.41) TSHRPHF8KDM2A
SCHEMBL22640989 0.79 L3MBTL1 (0.36) TSHRL3MBTL1
SCHEMBL19249810 0.79 TSHR (0.33) TSHRL3MBTL1ALDH1A1
SCHEMBL17256253 0.78 TSHR (0.41) TSHRPOLB
SCHEMBL21236783 0.76 ALDH1A1 (0.35) TSHRL3MBTL1ALDH1A1
SCHEMBL21291271 0.76 TSHR (0.48) TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL24709265 0.76 TSHR (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402947-A1 Trialkyne Linking Agents and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-12-22 US disclosed
WO-2019161213-A1 TRIALKYNE LINKING AGENTS AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2019-08-22 WO 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-20220402947-A1 Trialkyne Linking Agents and Methods of Use DCLRE1A, DTYMK, RTCB TSHR 3215/4885CYP1A2 4421/4885CYP2D6 4050/4885

“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.