SCHEMBL4570567

SCHEMBL4570567

CCOC(=O)c1ccc([18F])cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.75
MEN1 O00255 3/20 0.75
MAPT P10636 3/20 0.75
CASP3 P42574 1/20 0.75
TRPV1 Q8NER1 1/20 0.75
SENP7 Q9BQF6 1/20 0.75
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA12 O43570 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
ESR1 P03372 1/20 0.68
ESR2 Q92731 1/20 0.68
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAOA P21397 1/20 0.66

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
SCHEMBL62862 1.00 KMT2A (0.75) KMT2AMEN1MAPTCASP3TRPV1
Hydrochloric Acid SCHEMBL28579442 0.98 KMT2A (0.73) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL7365076 0.94 KMT2A (0.69) KMT2AMEN1MAPTCASP3TRPV1
Propene SCHEMBL27901997 0.91 KMT2A (0.65) KMT2AMEN1MAPTCASP3TRPV1
Benzocaine SCHEMBL8185923 0.91 LMNA (0.83) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL7767342 0.91 KMT2A (0.65) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL3983761 0.89 CA1 (0.70) KMT2AMEN1MAPTCASP3TRPV1
Alcohol SCHEMBL27327774 0.89 CA1 (0.76) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL87450 0.89 CA1 (0.83) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL4049821 0.88 KMT2A (0.61) KMT2AMEN1MAPTCASP3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-20120107175-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM THE REGENTS OF THE UNIVERISTY OF CALIFORNIA (US) 2012-05-03 US disclosed
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
US-7919579-B2 Imaging and therapeutic targeting of prostate and bladder tissues THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-04-05 US disclosed
US-20090123381-A1 IMAGING AND THERAPEUTIC TARGETING OF PROSTATE AND BLADDER TISSUES US ARMY, SECRETARY OF THE ARMY 2009-05-14 US disclosed
US-20070276231-A1 Positron Emission Tomography Imaging Method PURDUE RESEARCH FOUNDATION 2007-11-29 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 (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-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 KMT2A 143/4885MEN1 1572/4885MAPT 2189/4885
US-20090123381-A1 IMAGING AND THERAPEUTIC TARGETING OF PROSTATE AND BLADDER TISSUES ADM2, DAB2IP, ARG2 KMT2A 2593/4885MEN1 433/4885MAPT 2431/4885

“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.