SCHEMBL7057745

SCHEMBL7057745

C=CC(F)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
TSHR P16473 1/20 0.46
SRD5A2 P31213 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
TGM2 P21980 1/20 0.41
SOS1 Q07889 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSTP1 P09211 1/20 0.36

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
SCHEMBL3322544 0.81 TSHR (0.38) TSHRSMN1; SMN2
SCHEMBL13388150 0.79 CYP2C19 (0.36) TSHRSMN1; SMN2
SCHEMBL28449257 0.77 LTA4H (0.57) LTA4HTSHRSRD5A2NR1H2BAX
SCHEMBL8618583 0.77 SRD5A2 (0.50) LTA4HTSHRSRD5A2NR1H2BAX
Diphenylether SCHEMBL474226 0.76 LTA4H (0.71) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9631686 0.75 PRSS1 (0.42) SRD5A2GAARAB9ASMN1; SMN2
SCHEMBL9630012 0.75 PRSS1 (0.42) SRD5A2GAARAB9ASMN1; SMN2
Diphenylether SCHEMBL22729153 0.74 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL28846133 0.73 SRD5A2 (0.54) LTA4HTSHRSRD5A2NR1H2BAX
SCHEMBL3893562 0.71 LTA4H (0.92) LTA4HTSHRSRD5A2NR1H2BAX

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-6710017-B2 Compositions and methods for controlling algae in recirculating water systems AVECIA, INC. 2004-03-23 US disclosed
WO-2001056386-A9 COMPOSITIONS AND METHODS FOR CONTROLLING ALGAE IN RECIRCULATING WATER SYSTEMS AVECIA INC (US) 2002-04-04 WO disclosed
US-20010046946-A1 Compositions and methods for controlling algae in recirculating water systems INNOVATIVE WATER CARE, LLC 2001-11-29 US disclosed
WO-2001056386-A2 COMPOSITIONS AND METHODS FOR CONTROLLING ALGAE IN RECIRCULATING WATER SYSTEMS AVECIA INC. (US) 2001-08-09 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-20010046946-A1 Compositions and methods for controlling algae in recirculating water systems AQP3, AQP1, AGPS LTA4H 2511/4885TSHR 3540/4885SRD5A2 1511/4885

“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.