SCHEMBL10026006

SCHEMBL10026006

CCCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCCCCC(C)(C)C)c4ccc(S(=O)(=O)O)cc4C3(C)C)=C2Oc2ccccc2)C(C)(C)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.49
FOLR1 P15328 6/20 0.47
HTR1A P08908 1/20 0.46
PRMT1 Q99873 2/20 0.40
PRMT5 O14744 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HRH2 P25021 4/20 0.40
PTPN1 P18031 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL27098115 0.95 FOLH1 (0.53) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL10026061 0.89 PRMT1 (0.48) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL19627547 0.89 FOLH1 (0.50) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL22131053 0.88 FOLH1 (0.55) FOLH1FOLR1HTR1APRMT1HRH2
SCHEMBL25714470 0.88 FOLR1 (0.55) FOLH1FOLR1HTR1APRMT1HRH2
SCHEMBL14703613 0.88 FOLR1 (0.55) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL19869366 0.87 FOLH1 (0.49) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL18874921 0.86 FOLH1 (0.50) FOLH1FOLR1HTR1APRMT1PRMT5
SCHEMBL22567811 0.86 FOLH1 (0.53) FOLH1FOLR1HTR1APRMT1HRH2
SCHEMBL17778915 0.86 FOLH1 (0.57) FOLH1FOLR1HTR1APRMT1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 US disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 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 (2 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-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 FOLH1 1/4885FOLR1 38/4885HTR1A 4600/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 FOLH1 1/4885FOLR1 38/4885HTR1A 4600/4885

“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.