SCHEMBL12713670

SCHEMBL12713670

COc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Cl)/C(=C/C=C3/N(CCCCC(=O)O)c4ccc(OC)cc4C3(C)C)CCC1)=[N+]2CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.48
PRMT1 Q99873 4/20 0.45
PTPN1 P18031 1/20 0.45
PRMT5 O14744 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HTR1A P08908 1/20 0.42
FOLR1 P15328 6/20 0.41
EGFR P00533 1/20 0.39
APP P05067 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL16002956 0.90 FOLH1 (0.47) FOLH1PRMT1PTPN1PRMT5CARM1
SCHEMBL25489625 0.89 FOLH1 (0.50) FOLH1PRMT1PTPN1PRMT5CARM1
SCHEMBL2057092 0.88 FOLH1 (0.48) FOLH1PRMT1PTPN1PRMT5CARM1
SCHEMBL2057097 0.88 FOLH1 (0.48) FOLH1PRMT1PTPN1PRMT5CARM1
SCHEMBL13813755 0.88 FOLH1 (0.42) FOLH1PRMT1PTPN1PRMT5CARM1
SCHEMBL16000425 0.87 FOLH1 (0.46) FOLH1PRMT1PTPN1PRMT5CARM1
SCHEMBL12713684 0.86 PRMT1 (0.51) FOLH1PRMT1PTPN1HTR1AFOLR1
SCHEMBL16940687 0.85 PRMT1 (0.51) FOLH1PRMT1PTPN1HTR1AFOLR1
SCHEMBL12713861 0.85 PRMT1 (0.51) FOLH1PRMT1PTPN1HTR1AFOLR1
SCHEMBL24842484 0.85 PRMT1 (0.51) FOLH1PRMT1PTPN1HTR1AFOLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248832-A1 Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy UNIV EMORY (US) 2023-08-10 US disclosed
US-20160310604-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY CEDARS-SINAI MEDICAL CENTER 2016-10-27 US disclosed
US-20110085974-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY CEDARS-SINAI MEDICAL CENTER (US) 2011-04-14 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 (3 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-20160310604-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY SELL, EPCAM, SELPLG FOLH1 41/4885PRMT1 2454/4885PTPN1 1336/4885
US-20230248832-A1 Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy SELL, EPCAM, SELPLG FOLH1 41/4885PRMT1 2454/4885PTPN1 1336/4885
US-20110085974-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY SELL, EPCAM, SELPLG FOLH1 41/4885PRMT1 2454/4885PTPN1 1336/4885

“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.