SCHEMBL26316502

SCHEMBL26316502

CCCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCCCCC(C)C)c4ccc(S(=O)(=O)O)cc4C3(C)C)=C2Oc2ccc(S(=O)(=O)O)cc2)C(C)(C)c2cc(C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.52
FOLR1 P15328 6/20 0.44
HTR1A P08908 1/20 0.41
PRMT1 Q99873 3/20 0.41
PRMT5 O14744 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
PTPN1 P18031 1/20 0.41
ADORA1 P30542 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
NPY4R P50391 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL20328849 0.91 FOLH1 (0.57) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL25486206 0.88 FOLH1 (0.52) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL18807747 0.88 FOLH1 (0.56) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL14703625 0.88 FOLH1 (0.56) FOLH1FOLR1HTR1AADORA1DPP8
SCHEMBL17356823 0.88 FOLH1 (0.53) FOLH1FOLR1HTR1AADORA1DPP8
SCHEMBL14703624 0.87 FOLH1 (0.52) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL18608750 0.87 FOLH1 (0.56) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL23425341 0.87 FOLH1 (0.56) FOLH1FOLR1HTR1APRMT1PTPN1
SCHEMBL19869366 0.86 FOLH1 (0.49) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL17694097 0.86 FOLH1 (0.57) FOLH1FOLR1HTR1APTPN1DPP8

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-20230226229-A1 DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-07-20 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-20230226229-A1 DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF ANXA4, ANXA5, ANXA1 FOLH1 744/4885FOLR1 152/4885HTR1A 4210/4885

“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.