SCHEMBL9893587

SCHEMBL9893587

Cc1cc(Br)c(OCc2ccc(F)cc2)c(B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM5 P41594 1/20 0.38
LIPE Q05469 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL9946068 0.92 THRB (0.42) THRBTHRALMNAMAPTNPSR1
SCHEMBL9893782 0.86 MAOB (0.48) THRBTHRALMNAMAPTMAOB
SCHEMBL16687436 0.86 LMNA (0.47) THRBTHRALMNAMAPTNPSR1
SCHEMBL3317609 0.86 LIPE (0.50) THRBTHRALMNAMAPTMAOB
SCHEMBL12440965 0.82 MAPT (0.49) THRBTHRALMNAMAPTNPSR1
SCHEMBL9946066 0.82 THRA (0.51) THRBTHRALMNAMAPTMAOB
SCHEMBL9946067 0.81 MAOB (0.45) THRBTHRALMNAMAPTMAOB
SCHEMBL13430010 0.80 LMNA (0.44) THRBTHRALMNAMAPTNPSR1
SCHEMBL9893572 0.80 MAOB (0.47) LMNAMAPTNPSR1MAOBNPC1
SCHEMBL9893695 0.80 THRA (0.51) THRBTHRAMAOBFFAR1FFAR4

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 THRB 898/4885THRA 1584/4885LMNA 3453/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 THRB 898/4885THRA 1584/4885LMNA 3453/4885

“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.