SCHEMBL18070586

SCHEMBL18070586

C[N+]1=C(/C=C2/C(=O)C(/C=C3\N(CCCCCC(=O)O)c4ccccc4C3(C)C)=C2O)C(C)(C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.52
PRMT1 Q99873 1/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CHRM2 P08172 7/20 0.37
CHRM4 P08173 7/20 0.37
CHRM5 P08912 7/20 0.37
CHRM1 P11229 7/20 0.37
CHRM3 P20309 7/20 0.37
HRH2 P25021 2/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
S1PR2 O95136 1/20 0.35
POLB P06746 1/20 0.35
ALPG P10696 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 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
SCHEMBL18070443 0.97 FOLH1 (0.48) FOLH1PRMT1TMEM97SIGMAR1CHRM2
SCHEMBL18070666 0.91 FOLH1 (0.51) FOLH1PRMT1TMEM97SIGMAR1CHRM2
SCHEMBL12304491 0.88 FOLH1 (0.40) FOLH1PRMT1LMNAMAPTMEN1
SCHEMBL25986897 0.87 FOLH1 (0.41) FOLH1PRMT1TMEM97SIGMAR1CHRM2
SCHEMBL18070440 0.87 FOLH1 (0.41) FOLH1PRMT1TMEM97SIGMAR1CHRM2
SCHEMBL12304490 0.85 MAPT (0.47) FOLH1PRMT1LMNAMAPTMEN1
SCHEMBL21314815 0.85 FOLH1 (0.41) FOLH1PRMT1LMNAMAPTMEN1
SCHEMBL21314812 0.85 FOLH1 (0.41) FOLH1PRMT1LMNAMAPTMEN1
SCHEMBL15996382 0.84 LMNA (0.44) LMNAMAPTMEN1NPC1USP2
SCHEMBL12690873 0.84 LMNA (0.44) LMNAMAPTMEN1NPC1USP2

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-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2016-09-15 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-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 FOLH1 134/4885PRMT1 3727/4885TMEM97 2327/4885

“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.