SCHEMBL14727615

SCHEMBL14727615

CCOC(=O)C(=Cc1ccc(I)cc1)C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72
MAPT P10636 8/20 0.71
LMNA P02545 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
S1PR4 O95977 1/20 0.71
S1PR1 P21453 1/20 0.71
MAPK1 P28482 1/20 0.71
NR1H4 Q96RI1 1/20 0.57
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSP90AA1 P07900 2/20 0.55
MITF O75030 1/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.50
PLIN1 O60240 1/20 0.49

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
SCHEMBL1068265 0.91 MEN1 (0.85) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL15095092 0.86 MEN1 (0.77) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3574550 0.85 MAPT (0.55) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3574546 0.85 MAPT (0.55) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL435677 0.84 KMT2A (0.74) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL935186 0.84 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
Benzene SCHEMBL27988126 0.84 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4511467 0.83 MAPT (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4511463 0.83 MAPT (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4511458 0.83 MAPT (0.50) MEN1KMT2AMAPTLMNANPSR1

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-8815883-B2 Compounds and methods for inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNVIERSITY IN THE CITY OF NEW YORK (US) 2014-08-26 US disclosed
US-8815883-B2 Compounds and methods for inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNVIERSITY IN THE CITY OF NEW YORK (US) 2014-08-26 US disclosed
US-20130053343-A1 COMPOUNDS AND METHODS FOR INHIBITING SEROTONIN SYNTHESIS The Trustees of Columbia University in th City of (US) 2013-02-28 US disclosed
US-20130053343-A1 COMPOUNDS AND METHODS FOR INHIBITING SEROTONIN SYNTHESIS The Trustees of Columbia University in th City of (US) 2013-02-28 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-20130053343-A1 COMPOUNDS AND METHODS FOR INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A MEN1 290/4885KMT2A 589/4885MAPT 3226/4885

“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.