SCHEMBL10117937

SCHEMBL10117937

O[N+]1(Cc2ccccc2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
CYP2D6 P10635 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
FKBP1A P62942 1/20 0.38
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
USP2 O75604 1/20 0.35

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
Water SCHEMBL1702301 0.98 CYP1A2 (0.39) CYP1A2CYP2C9APOBEC3AAPOBEC3GCYP2D6
SCHEMBL17432297 0.81 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2D6FKBP1APOLB
SCHEMBL15031059 0.77 FKBP1A (0.44) FKBP1ASMN1; SMN2KMT2AMAPTTSHR
SCHEMBL1702299 0.76 HIF1A (0.37) CYP1A2CYP2C9APOBEC3AAPOBEC3GCYP2D6
SCHEMBL1961848 0.76 APOBEC3A (0.48) APOBEC3AAPOBEC3GCYP2D6CTDSP1POLB
SCHEMBL16363777 0.74 CYP1A2 (0.54) CYP1A2CYP2C9APOBEC3AAPOBEC3GCYP2D6
SCHEMBL10257015 0.74 APOBEC3A (0.47) APOBEC3AAPOBEC3GCYP2D6CTDSP1POLB
Hydrochloric Acid SCHEMBL10751415 0.74 APOBEC3A (0.47) APOBEC3AAPOBEC3GCYP2D6CTDSP1POLB
Bromide SCHEMBL10751445 0.74 APOBEC3A (0.47) APOBEC3AAPOBEC3GCYP2D6CTDSP1POLB
Water SCHEMBL4082000 0.74 APOBEC3A (0.47) APOBEC3AAPOBEC3GCYP2D6CTDSP1POLB

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-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2013-05-02 US disclosed
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2013-05-02 US disclosed
WO-2012006313-A2 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-01-12 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-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE DDT, ACHE, CAT CYP1A2 214/4885CYP2C9 113/4885APOBEC3A 300/4885

“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.