SCHEMBL7204597

SCHEMBL7204597

C#CCCCCC#CCCCCCl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 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
SCHEMBL223119 0.91
SCHEMBL10926007 0.88 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2D6
SCHEMBL8663867 0.88 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2D6
SCHEMBL16161159 0.88 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2D6
SCHEMBL8679600 0.88
SCHEMBL3679794 0.88
SCHEMBL8130138 0.88 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2D6
SCHEMBL8660949 0.88 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCYP1A2CYP2D6
SCHEMBL11673737 0.82 TSHR (0.42) ALDH1A1TSHRTDP1CYP3A4PTPN1
SCHEMBL20597208 0.82 TSHR (0.42) ALDH1A1TSHRTDP1CYP3A4PTPN1

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-20030224038-A1 Cross-linkable phosphonate-containing supramolecular complexes and their use for delivery of therapeutic and diagnostic agents PAGE CATHERINE J (US) 2003-12-04 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-20030224038-A1 Cross-linkable phosphonate-containing supramolecular complexes and their use for delivery of therapeutic and diagnostic agents PHOSPHO1, PPIP5K2, CLTB ALDH1A1 4588/4885KDM4E 4538/4885HPGD 1606/4885

“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.