SCHEMBL6803093

SCHEMBL6803093

Oc1cc(Br)cc(O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
ALOX15 P16050 5/20 0.38
ALOX12 P18054 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
NSD1 Q96L73 1/20 0.34
HPGD P15428 2/20 0.32
CES2 O00748 1/20 0.32
GALR3 O60755 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL29375214 0.86 CYP3A4 (0.38) CYP3A4TSHRTDP1ERCC1ERCC4
SCHEMBL189947 0.86 CYP3A4 (0.38) CYP3A4TSHRTDP1ERCC1ERCC4
SCHEMBL18241199 0.82 ALOX15 (0.36) CYP3A4TSHRTDP1ERCC1ERCC4
SCHEMBL16929987 0.82 NMT1 (0.35) CYP3A4TSHRTDP1ERCC1ERCC4
SCHEMBL25337641 0.78 KDM1A (0.33) CYP3A4TSHRTDP1ALOX15ALOX12
SCHEMBL29490989 0.78 KDM1A (0.33) CYP3A4TSHRTDP1ALOX15ALOX12
SCHEMBL2050124 0.77 CYP3A4 (0.46) CYP3A4TSHRTDP1ERCC1ERCC4
SCHEMBL22466232 0.77 ERN1 (0.46) ALOX15ALOX12ERN1
SCHEMBL25340705 0.77 AKR1C3 (0.53) CYP3A4TSHRTDP1ALOX15HPGD
SCHEMBL30881823 0.77 ESR1 (0.37) CYP3A4TSHRTDP1GABRA1GABRB1

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
EP-3046902-B1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2018-08-08 EP disclosed
US-9630935-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2017-04-25 US disclosed
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2016-09-29 US disclosed
EP-3046902-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS Vectus Biosystems Limited (AU) 2016-07-27 EP disclosed
WO-2015039172-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS PTY LTD (AU) 2015-03-26 WO disclosed
US-6828466-B2 Reacting arene with borane; oxidation, hydrogenation phenylboronic acid BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-12-07 US disclosed
US-20040030197-A1 Process for the synthesis of phenols from arenes BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-02-12 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-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS TGFB1, REN, TGFB2 CYP3A4 4276/4885TSHR 3566/4885TDP1 4229/4885
US-20040030197-A1 Process for the synthesis of phenols from arenes GRHPR, CBR1, CBR3 CYP3A4 280/4885TSHR 55/4885TDP1 4468/4885

“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.