SCHEMBL18349243

SCHEMBL18349243

Nc1ccc(/C=C/c2cc[n+](C(CC(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
APP P05067 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PIM1 P11309 1/20 0.34
PYGL P06737 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
NFKB1 P19838 2/20 0.33

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
SCHEMBL13700853 0.86 TDP1 (0.39) SMN1; SMN2POLBTDP1RAB9AMEN1
SCHEMBL18349239 0.82 ALDH1A1 (0.48) APPSMN1; SMN2CYP1B1RAB9AMEN1
SCHEMBL18349234 0.74 CHAT (0.42) CYP19A1MAOAMAOBAPPSMN1; SMN2
SCHEMBL18349240 0.73 CYP19A1 (0.47) CYP19A1MAOAMAOBAPPCYP1B1
SCHEMBL13464630 0.73 ALDH1A1 (0.40) SMN1; SMN2POLBMEN1MAPTKMT2A
SCHEMBL18349232 0.72 RAB9A (0.41) CYP19A1MAOAMAOBSMN1; SMN2POLB
SCHEMBL18349198 0.71 MAPT (0.46) APPSMN1; SMN2CYP1B1RAB9AMEN1
SCHEMBL9509301 0.69 TDP1 (0.39) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7534626 0.67 CYP19A1 (0.52) CYP19A1MAOAMAOBAPPPOLB
SCHEMBL7534630 0.67 CYP19A1 (0.52) CYP19A1MAOAMAOBAPPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 US disclosed
US-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2016-12-29 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-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER TP53, MKI67, FLT3 CYP19A1 3504/4885MAOA 2682/4885MAOB 2360/4885

“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.