SCHEMBL9893995

SCHEMBL9893995

OB(O)c1cccc(Br)c1OCc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.51
ESR1 P03372 1/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
AR P10275 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
ENPP2 Q13822 1/20 0.46
MAOA P21397 3/20 0.45
PARP15 Q460N3 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PARP14 Q460N5 1/20 0.45
LIPE Q05469 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL9946036 0.92 ESR1 (0.49) MAOBESR1NR3C1PGRNR3C2
SCHEMBL28286357 0.86 LIPE (0.58) MAOBTHRATHRBENPP2LIPE
SCHEMBL9893695 0.85 THRA (0.51) MAOBESR1NR3C1PGRNR3C2
SCHEMBL9905525 0.85 MAOB (0.52) MAOBIDO1AGXTENPP2
SCHEMBL12440955 0.83 MAOB (0.56) MAOBESR1NR3C1PGRNR3C2
SCHEMBL9946069 0.80 THRA (0.49) MAOBESR1NR3C1PGRNR3C2
SCHEMBL9893996 0.79 KMT2A (0.46) MAOBTHRBENPP2MAOALIPE
SCHEMBL9893572 0.79 MAOB (0.47) MAOBENPP2LIPE
SCHEMBL5668021 0.78 MAOB (0.57) MAOBESR1NR3C1PGRNR3C2
SCHEMBL12514199 0.78 MAOB (0.53) MAOBESR1NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885ESR1 929/4885NR3C1 149/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885ESR1 929/4885NR3C1 149/4885

“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.