SCHEMBL7011964

SCHEMBL7011964

BrCC(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
AGXT P21549 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL29197947 0.90 TSHR (0.40) TSHRIDO1ALDH1A1TRPA1SLC1A3
SCHEMBL15635084 0.83 TSHR (0.44) TSHRIDO1ALDH1A1TRPA1SLC1A3
SCHEMBL872358 0.82 TSHR (0.48) TSHRIDO1ALDH1A1TRPA1SLC1A3
SCHEMBL4299693 0.82 IDO1 (0.50) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL3276722 0.81 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL1942288 0.78 TSHR (0.44) TSHRIDO1ALDH1A1TRPA1SLC1A3
SCHEMBL2644673 0.77 TSHR (0.48) TSHRIDO1ALDH1A1TRPA1SLC1A3
SCHEMBL31697649 0.77 TSHR (0.48) TSHRIDO1ALDH1A1SLC1A3SLC1A2
SCHEMBL11687119 0.77 TSHR (0.48) TSHRIDO1ALDH1A1SLC1A3SLC1A2
SCHEMBL17863583 0.77 TSHR (0.48) TSHRIDO1ALDH1A1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144249-A1 Use of organophosphorous compounds for producing a medicament for treating infections JOMAA PHARMAKA GMBH (DE) 2003-07-31 US disclosed
EP-1272198-A1 USE OF ORGANOPHOSPHOROUS COMPOUNDS FOR PRODUCING A MEDICAMENT FOR TREATING INFECTIONS Jomaa Pharmaka GmbH (DE) 2003-01-08 EP disclosed
WO-2001070237-A1 USE OF ORGANOPHOSPHOROUS COMPOUNDS FOR PRODUCING A MEDICAMENT FOR TREATING INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO 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-20030144249-A1 Use of organophosphorous compounds for producing a medicament for treating infections PHPT1, PPM1D, BPNT1 TSHR 1147/4885IDO1 390/4885ALDH1A1 1560/4885

“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.